Molecule FYI-1014271

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A

Molecule Summary:

ID: FYI-1014271
Names:
InChIKey: KQJYDHWNYPRIRY-UHFFFAOYSA-N
SMILES: O=C(NC1CCCCC1)c2ccccc2

Received at FYIcenter.com on: 2025-03-19

Molecule ID: FYI-1014271 Edit

Molecule Structure InChIKey: KQJYDHWNYPRIRY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC1CCCCC1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014271
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 15  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014271-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    0.4508   -2.1775   -0.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769   -0.1580   -0.4038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045   -0.6886   -0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6389   -1.1399    0.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931    0.3282   -1.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    0.0373    1.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2871    1.5032   -0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9262    1.0294    0.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527   -0.9613   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400   -0.2677   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760   -0.9791    0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8584    1.0655   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9848   -0.3279    0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    1.7166   -0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    1.0198    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018   -1.5698   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -1.7988    1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380   -1.7294    0.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8061   -0.1758   -1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3854    0.7079   -2.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319    0.5506    1.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5564   -0.3355    2.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9907    2.1496   -0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4077    2.1178   -0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8914    0.5565    0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1330    1.8911    1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6081    0.8174   -0.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774   -2.0272    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680    1.6335   -0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125   -0.8700    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1839    2.7640   -0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721    1.5263    0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  2  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1278👍, 0💬