Molecule FYI-1008794

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Molecule Summary:

ID: FYI-1008794
Names:
InChIKey: OZBJBNQHMAXGTG-UHFFFAOYSA-N
SMILES: C#CCNC(=O)CCN

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

Molecule ID: FYI-1008794 Edit

Molecule Structure InChIKey: OZBJBNQHMAXGTG-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNC(=O)CCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1008794
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008794-3D
FYIcenter.com

 19 18  0     0  0  0  0  0  0999 V2000
    0.2643    0.1625    1.4292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6919    0.7132   -0.6124 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065   -0.4958   -0.4576 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366    0.1112   -0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933   -0.3185    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3512    0.3230    0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170    0.9745   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8344   -0.2383   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5086   -1.2317   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -0.6505   -1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827    1.0502   -1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -1.2564    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.4371    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5332    0.8046   -1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436    1.3797    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4626    1.7431   -0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8577   -1.2200   -1.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556   -0.8324    0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1065   -2.1130   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  3  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2024-04-29, 918👍, 0💬