Molecule FYI-1008354

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Molecule Summary:

ID: FYI-1008354
Names:
InChIKey: FZCXAFBKFNEFCQ-UHFFFAOYSA-N
SMILES: O=C1NCCCc2occc12

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

Molecule ID: FYI-1008354 Edit

Molecule Structure InChIKey: FZCXAFBKFNEFCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1NCCCc2occc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008354
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    4.5128    3.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3004    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4050    0.9523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9944    0.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2944    1.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8058    2.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436    3.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8397    4.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008354-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
    1.9737    1.1541   -0.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -2.5593    0.2426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651   -0.7423   -0.1198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.6556    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560    2.0037    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814    0.6246   -0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6478    0.8315    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -0.5439   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318   -1.3443    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -1.0743   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692   -0.0054   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.3025    1.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    2.5749    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328    2.7292    0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459    2.5008   -0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3741    0.6983   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9577    0.7784   -1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7610   -1.3704   -0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0986   -2.1161   -0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7441    0.0911   -0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  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 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

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