Molecule FYI-1008930

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A

Molecule Summary:

ID: FYI-1008930
Names:
InChIKey: BZAGWSIKXFPLND-UHFFFAOYSA-N
SMILES: CNCCC(=O)NC

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

Molecule ID: FYI-1008930 Edit

Molecule Structure InChIKey: BZAGWSIKXFPLND-UHFFFAOYSA-N

Molecule Structure SMILES String: CNCCC(=O)NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008930
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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
  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  5  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008930-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
   -1.1393   -1.3791   -0.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275    0.5725   -0.0049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2256    0.6717    0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800    0.6517   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -0.2398   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1088   -0.1514   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8170   -0.2673    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5681    0.1417    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1751    1.2993   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811    1.2957    0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993   -0.8777   -0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953   -0.8996    0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274    1.1790    0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1068    1.6800    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8518   -0.8911    0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7098    0.3657    0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658   -0.9104   -0.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6189   -0.7725   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2418    0.8964   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8485   -0.0797    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

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2024-06-03, 170👍, 0💬