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3-Amino-1-cyclopentyl-1,3-dihydro-indol-2-one 1HCl salt
3-Amino-1-cyclopentyl-1,3-dihydro-indol-2-one 1HCl salt ID: B204136
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1(=O)N(c2c(C1N)cccc2)C1CCCC1	
FORMULA: C13H16N2O
MASS: 216.2789
EXACT MASS: 216.1262631
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.4442     0.0000 
   C   3    0.7182     0.4428     0.0000 
   C   4    0.7182     0.7159     0.4416     0.0000 
   C   5    0.4442     0.7166     0.7159     0.4428     0.0000 
   O   6    0.5583     0.8956     1.2612     1.2612     0.8956     0.0000 
   C   7    0.7892     0.4428     0.7897     1.1453     1.1458     1.0364 
   N   8    0.8327     1.1792     1.1609     0.7915     0.4692     1.0893 
   C   9    1.1561     0.8089     0.4445     0.7689     1.1372     1.6850 
   C  10    1.1545     1.1343     0.7654     0.4424     0.8085     1.6840 
   C  11    0.9320     0.7792     1.1985     1.4863     1.3643     0.9067 
   C  12    1.1917     0.7874     0.9823     1.4047     1.5021     1.4538 
   C  13    1.4667     1.1954     0.7666     0.8847     1.3212     2.0204 
   C  14    1.4667     1.3212     0.8847     0.7666     1.1954     2.0204 
   C  15    1.4598     1.1173     1.3827     1.7888     1.8271     1.5866 
   C  16    1.3349     1.1041     1.4711     1.8189     1.7539     1.3174 

              C   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.5963     0.0000 
   C   9    0.9990     1.5529     0.0000 
   C  10    1.5419     0.9789     0.8875     0.0000 
   C  11    0.4560     1.7594     1.4524     1.9128     0.0000 
   C  12    0.4223     1.9666     1.0049     1.7415     0.7142     0.0000 
   C  13    1.4379     1.6535     0.4445     0.7654     1.8878     1.4410 
   C  14    1.6600     1.4187     0.7689     0.4424     2.0824     1.7563 
   C  15    0.6816     2.2770     1.4231     2.1471     0.7003     0.4194 
   C  16    0.6824     2.1671     1.6272     2.2235     0.4208     0.6802 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.4416     0.0000 
   C  15    1.8561     2.1755     0.0000 
   C  16    2.0716     2.3315     0.4202     0.0000 



ATOMIC CHARGES
   C   1    0.2510076768
   N   2   -0.2590918916
   C   3    0.0516124399
   C   4    0.0175107476
   C   5    0.1915043826
   O   6   -0.2726101552
   C   7    0.0798094919
   N   8   -0.1181849490
   C   9    0.0146370594
   C  10   -0.0011643747
   C  11    0.0201792625
   C  12    0.0201792625
   C  13    0.0012603921
   C  14   -0.0001831433
   C  15    0.0017668993
   C  16    0.0017668993


BOND ANGLES
   2    1    5  Nam   C2   C3    107.545
   2    1    6  Nam   C2   O2    126.227
   5    1    6   C3   C2   O2    126.227
   1    2    3   C2  Nam  Car    108.136
   1    2    7   C2  Nam   C3    125.681
   3    2    7  Car  Nam   C3    126.182
   2    3    9  Nam  Car  Car    131.496
   2    3    4  Nam  Car  Car    108.091
   4    3    9  Car  Car  Car    120.413
   5    4   10   C3  Car  Car    131.953
   3    4    5  Car  Car   C3    108.091
   3    4   10  Car  Car  Car    119.955
   1    5    4   C2   C3  Car    108.136
   4    5    8  Car   C3   N3    120.398
   1    5    8   C2   C3   N3    131.466
   2    7   11  Nam   C3   C3    120.219
   2    7   12  Nam   C3   C3    131.038
  11    7   12   C3   C3   C3    108.743
   3    9   13  Car  Car  Car    119.173
   4   10   14  Car  Car  Car    120.089
   7   11   16   C3   C3   C3    102.128
   7   12   15   C3   C3   C3    108.152
   9   13   14  Car  Car  Car    120.413
  10   14   13  Car  Car  Car    119.955
  12   15   16   C3   C3   C3    108.227
  11   16   15   C3   C3   C3    112.751


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


CHIRAL ATOMS
  11   16   15   12      0.026