Molecule FYI-1015458

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A

Molecule Summary:

ID: FYI-1015458
Names:
InChIKey: CQYBNXGHMBNGCG-PRJMDXOYSA-N
SMILES: O=C(O)[C@@H]2C[C@H]1CCCC[C@H]1N2

Received at FYIcenter.com on: 2025-09-03

Molecule ID: FYI-1015458 Edit

Molecule Structure InChIKey: CQYBNXGHMBNGCG-PRJMDXOYSA-N

Molecule Structure SMILES String: O=C(O)[C@@H]2C[C@H]1CCCC[C@H]1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015458
FYIcenter.com

 12 13  0  0  1  0  0  0  0  0999 V2000
    2.5327    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    2.9229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  1 10  1  0  0  0  0
  7  9  1  6  0  0  0
 10  9  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015458-3D
FYIcenter.com

 27 28  0     1  0  0  0  0  0999 V2000
    3.0046    1.3233    0.3087 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3129   -0.8835   -0.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    0.9938    0.2952 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6897    0.6121   -0.7940 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7777   -0.9039   -0.6540 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6787   -1.2780   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085   -0.1708    0.5269 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0086    1.3600   -0.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7051   -1.3632    0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8889    0.8522    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0572   -0.6620    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    0.1198    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1940    0.8890   -1.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1264   -1.3523   -1.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2255    1.2045    1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873    1.8497    0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062   -1.3166   -1.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7751   -2.2661    0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212   -0.4347    1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666    1.2449   -1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8288    2.4345   -0.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502   -1.1742    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8502   -2.4482    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8720    1.3334    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549    1.1376    1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6786   -0.9954    1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -0.9421   -0.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

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2025-11-06, 227👍, 0💬