Sign In Join Free

Products Information

3-Amino-1-cyclopropylmethyl-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-cyclopropylmethyl-1,3-dihydro-indol-2-one 1HCl salt ID: B204134
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:N1(C(=O)C(c2c1cccc2)N)CC1CC1	
FORMULA: C12H14N2O
MASS: 202.2524
EXACT MASS: 202.1106131
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.4442     0.0000 
   C   3    0.4428     0.7182     0.0000 
   C   4    0.7160     0.7182     0.4417     0.0000 
   C   5    0.7167     0.4442     0.7160     0.4428     0.0000 
   C   6    0.6034     0.9541     0.9151     1.2934     1.3114     0.0000 
   C   7    0.8237     1.2403     0.9816     1.4121     1.5332     0.3692 
   O   8    0.8766     0.5375     1.2407     1.2407     0.8766     1.1548 
   C   9    1.3261     1.7483     1.4184     1.8597     2.0263     0.8461 
   C  10    1.0983     1.5426     1.0440     1.4775     1.7263     0.8476 
   N  11    1.1792     0.8326     1.1609     0.7914     0.4691     1.7629 
   C  12    1.1343     1.1545     0.7654     0.4423     0.8085     1.6769 
   C  13    0.8085     1.1545     0.4423     0.7654     1.1343     1.0682 
   C  14    1.3212     1.4667     0.8847     0.7666     1.1954     1.7655 
   C  15    1.1954     1.4667     0.7666     0.8847     1.3212     1.5104 

              C   7      O   8      C   9      C  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.5099     0.0000 
   C   9    0.5083     2.0010     0.0000 
   C  10    0.5050     1.9127     0.5051     0.0000 
   N  11    2.0001     1.0756     2.4950     2.1896     0.0000 
   C  12    1.7331     1.6639     2.1281     1.6854     0.9789     0.0000 
   C  13    0.9709     1.6639     1.2792     0.8090     1.5495     0.8833 
   C  14    1.7275     1.9997     2.0383     1.5513     1.4187     0.4423 
   C  15    1.3977     1.9997     1.6456     1.1460     1.6535     0.7654 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    0.7654     0.0000 
   C  15    0.4423     0.4417     0.0000 



ATOMIC CHARGES
   N   1   -0.2574481738
   C   2    0.2510565702
   C   3    0.0516743885
   C   4    0.0175115640
   C   5    0.1915050888
   C   6    0.0981760175
   C   7    0.0202305934
   O   8   -0.2726094680
   C   9    0.0017688041
   C  10    0.0017688041
   N  11   -0.1181849459
   C  12   -0.0011643714
   C  13    0.0146378762
   C  14   -0.0001831433
   C  15    0.0012603954


BOND ANGLES
   2    1    3   C2  Nam  Car    108.129
   2    1    6   C2  Nam   C3    130.608
   3    1    6  Car  Nam   C3    121.264
   1    2    5  Nam   C2   C3    107.553
   1    2    8  Nam   C2   O2    126.220
   5    2    8   C3   C2   O2    126.227
   1    3    4  Nam  Car  Car    108.091
   1    3   13  Nam  Car  Car    131.965
   4    3   13  Car  Car  Car    119.944
   3    4   12  Car  Car  Car    119.944
   3    4    5  Car  Car   C3    108.091
   5    4   12   C3  Car  Car    131.965
   2    5   11   C2   C3   N3    131.464
   2    5    4   C2   C3  Car    108.136
   4    5   11  Car   C3   N3    120.400
   1    6    7  Nam   C3   C3    113.558
   6    7    9   C3   C3   C3    148.875
   6    7   10   C3   C3   C3    151.329
   9    7   10   C3   C3   C3     59.796
   7    9   10   C3   C3   C3     59.777
   7   10    9   C3   C3   C3     60.427
   4   12   14  Car  Car  Car    120.112
   3   13   15  Car  Car  Car    120.112
  12   14   15  Car  Car  Car    119.944
  13   15   14  Car  Car  Car    119.944


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


CHIRAL ATOMS
  13   15   14   12      0.026