Molecule FYI-1006360

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A

Molecule Summary:

ID: FYI-1006360
Names:
InChIKey: ZVUAMUKZHFTJGR-UHFFFAOYSA-N
SMILES: C=CC(=O)N1CCNCC1

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006360 Edit

Molecule Structure InChIKey: ZVUAMUKZHFTJGR-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)N1CCNCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006360
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006360-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    1.7883   -1.5132    0.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471   -0.1252   -0.2687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8671    0.2739    0.0941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468    1.1968   -0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9857   -1.2459   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    1.3792    0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2455   -0.9978    0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115   -0.3931   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2493    0.7449   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766    0.6804    0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8509    1.2736   -1.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449    1.9989   -0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104   -2.1770   -0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384   -1.3653   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6971    1.4603    1.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141    2.3180    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9590   -1.8101    0.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068   -1.0001    1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6991    0.4206    0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.5936   -0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923    1.4946    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6295   -0.1550    1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

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2023-12-29, 323👍, 0💬