Molecule FYI-1008518

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A

Molecule Summary:

ID: FYI-1008518
Names:
InChIKey: QIMPNVVLHJIZGN-UHFFFAOYSA-N
SMILES: CCNC(=O)CCN

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

Molecule ID: FYI-1008518 Edit

Molecule Structure InChIKey: QIMPNVVLHJIZGN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=O)CCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1008518
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   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
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008518-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
   -0.2283   -1.3459    0.2964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    0.7718    0.2585 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6291    0.3293   -0.2624 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    0.5810   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772   -0.3940   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -0.1265    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    0.3400    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1464   -0.1557   -0.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1413    1.1617   -0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492    1.2858    0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2369   -1.0991   -0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4350   -0.9815    0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621   -0.4552    1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1070    1.1948    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961    1.7666    0.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1227    0.6277   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5993   -1.0196   -1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1880   -0.4532   -0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969    0.8543   -1.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3938   -0.3376   -0.3581 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 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  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  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1342👍, 0💬