Molecule FYI-1008704

Home > Molecule

A

Molecule Summary:

ID: FYI-1008704
Names:
InChIKey: KOMJKGAWCSYGCB-UHFFFAOYSA-N
SMILES: CNCCc1ncon1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008704 Edit

Molecule Structure InChIKey: KOMJKGAWCSYGCB-UHFFFAOYSA-N

Molecule Structure SMILES String: CNCCc1ncon1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008704
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    7.0656    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008704-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -2.8526   -0.2746    0.4541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708   -0.3082   -0.2114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470    1.0431   -0.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7322   -1.0947    0.2704 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673   -0.6876   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263    0.1141    0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275   -0.2457   -0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767    0.4870    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4818    0.9666    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6834   -1.7579   -0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940   -0.5571   -1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4806   -0.0243    1.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972    1.1832   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913   -0.2049   -1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8948    0.3760    1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8984    1.5480    0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9743    0.1434    0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2243    1.7466    0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 207👍, 0💬