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1,3-dihydropyrrolo[2,3-b]pyridin-2-one
1,3-dihydropyrrolo[2,3-b]pyridin-2-one ID: AN-6357
CAS:5654-97-7
Supplier:AN PharmaTech Co Ltd

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SMILES:O=C1Nc2ncccc2C1	13864095
FORMULA: C7H6N2O
MASS: 134.1353
EXACT MASS: 134.0480128
INTERATOMIC DISTANCES

              O   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   N   2    1.7763     0.0000 
   N   3    3.5401     1.8228     0.0000 
   C   4    2.5788     1.6117     1.7320     0.0000 
   C   5    1.7764     1.6095     2.5577     0.9942     0.0000 
   C   6    2.5788     0.9941     1.0000     1.0000     1.6118     0.0000 
   C   7    1.0000     0.9940     2.5962     1.6095     0.9941     1.6095 
   C   8    3.5401     2.5576     2.0000     1.0000     1.8228     1.7320 
   C   9    4.2911     2.9792     1.7320     1.7320     2.6956     2.0000 
   C  10    4.2911     2.6956     1.0000     2.0000     2.9792     1.7320 
   H  11    2.2908     2.1908     2.8394     1.1150     0.6200     1.9966 
   H  12    1.5283     1.9925     3.1606     1.6056     0.6199     2.1923 
   H  13    1.9693     0.6200     2.0432     2.2101     2.2072     1.4479 
   H  14    3.7625     3.0271     2.6200     1.4158     1.9872     2.2901 
   H  15    4.8667     3.5979     2.2900     2.2900     3.2152     2.6199 
   H  16    4.8667     3.2152     1.4157     2.6199     3.5979     2.2900 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.5962     0.0000 
   C   9    3.3000     1.0000     0.0000 
   C  10    3.3000     1.7320     1.0000     0.0000 
   H  11    1.6057     1.6048     2.5790     3.0651     0.0000 
   H  12    1.1150     2.3524     3.2737     3.5979     0.8294     0.0000 
   H  13    1.4478     3.1226     3.4394     3.0069     2.8011     2.5316 
   H  14    2.8922     0.6200     1.4158     2.2901     1.5808     2.4035 
   H  15    3.8842     1.4157     0.6200     1.4158     3.0169     3.7648 
   H  16    3.8842     2.2900     1.4158     0.6200     3.6804     4.2170 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    3.6199     0.0000 
   H  15    4.0584     1.6199     0.0000 
   H  16    3.4575     2.8059     1.6200     0.0000 



ATOMIC CHARGES
   O   1   -0.2750760397
   N   2   -0.2698910002
   N   3   -0.2398365287
   C   4    0.0014670224
   C   5    0.0526987759
   C   6    0.1285080909
   C   7    0.2226992455
   C   8   -0.0534182695
   C   9   -0.0431971754
   C  10    0.0297114863
   H  11    0.0408133108
   H  12    0.0408133108
   H  13    0.1562361096
   H  14    0.0621921270
   H  15    0.0632750604
   H  16    0.0830044739


BOND ANGLES
   6    2    7  Car  Nam   C2    108.103
   6    2   13  Car  Nam   HC    125.947
   7    2   13   C2  Nam   HC    125.950
   6    3   10  Car  Nar  Car    119.999
   5    4    6   C3  Car  Car    107.854
   5    4    8   C3  Car  Car    132.146
   6    4    8  Car  Car  Car    120.001
   4    5    7  Car   C3   C2    108.094
   4    5   11  Car   C3   HC     83.963
   4    5   12  Car   C3   HC    167.934
   7    5   11   C2   C3   HC    167.943
   7    5   12   C2   C3   HC     83.971
  11    5   12   HC   C3   HC     83.971
   2    6    3  Nam  Car  Nar    132.151
   2    6    4  Nam  Car  Car    107.848
   3    6    4  Nar  Car  Car    120.001
   1    7    2   O2   C2  Nam    125.951
   1    7    5   O2   C2   C3    125.948
   2    7    5  Nam   C2   C3    108.101
   4    8    9  Car  Car  Car    119.999
   4    8   14  Car  Car   HC    120.001
   9    8   14  Car  Car   HC    120.001
   8    9   10  Car  Car  Car    120.001
   8    9   15  Car  Car   HC    119.998
  10    9   15  Car  Car   HC    120.002
   3   10    9  Nar  Car  Car    120.001
   3   10   16  Nar  Car   HC    119.998
   9   10   16  Car  Car   HC    120.002


TORSION ANGLES
   7    2    6    3    179.974
   7    2    6    4      0.026
  13    2    6    3      0.026
  13    2    6    4    179.974
   6    2    7    1    179.974
   6    2    7    5      0.026
  13    2    7    1      0.026
  13    2    7    5    179.974
  10    3    6    2    179.974
  10    3    6    4      0.026
   6    3   10    9      0.026
   6    3   10   16    179.974
   6    4    5    7      0.026
   6    4    5   11    179.974
   6    4    5   12    179.974
   8    4    5    7    179.974
   8    4    5   11      0.026
   8    4    5   12      0.026
   5    4    6    2      0.026
   5    4    6    3    179.974
   8    4    6    2    179.974
   8    4    6    3      0.026
   5    4    8    9    179.974
   5    4    8   14      0.026
   6    4    8    9      0.026
   6    4    8   14    179.974
   4    5    7    1    179.974
   4    5    7    2      0.026
  11    5    7    1      0.026
  11    5    7    2    179.974
  12    5    7    1      0.026
  12    5    7    2    179.974
   4    8    9   10      0.026
   4    8    9   15    179.974
  14    8    9   10    179.974
  14    8    9   15      0.026
   8    9   10    3      0.026
   8    9   10   16    179.974
  15    9   10    3    179.974
  15    9   10   16      0.026