Molecule FYI-1016120

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Molecule Summary:

ID: FYI-1016120
Names:
InChIKey: ALPIRNRSSIDUQS-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)OCCCCCCN1

Received at FYIcenter.com on: 2025-11-24

Molecule ID: FYI-1016120 Edit

Molecule Structure InChIKey: ALPIRNRSSIDUQS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016120
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2531    1.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    2.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9481    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    1.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3243    2.0328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5712    1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4676    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7914    2.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914    1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0568    1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2403    1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6362    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8262    2.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9061    0.7631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016120-3D
FYIcenter.com

 37 37  0     0  0  0  0  0  0999 V2000
   -2.1214   -0.0380   -0.5100 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -0.6818   -1.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0242   -1.3042    1.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619    0.2664    0.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2907    1.9723   -0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9164    2.8885    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207    2.4983    0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1955    2.3863   -0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    1.6500    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6120   -2.1719    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -2.1808   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -2.0939    0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7894    1.1344   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6627   -2.3590   -0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5407   -0.7763   -0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3384   -1.1903    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0534    0.9731    0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146    1.8807   -1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1073    3.0282    1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765    3.8790   -0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    3.5292    0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011    2.5231    1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9389    3.1896   -0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9991    2.2096   -1.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0680    1.7032   -0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    2.0315    0.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -3.0905    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2752   -1.3333    1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -3.0074   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -1.2573   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4741   -2.9103   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368   -2.2067    1.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450    1.0522   -0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7178    1.1919    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588   -3.2601    0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526   -2.5046   -1.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    0.0728    1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
$$$$

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