Molecule Editor

Molecule ID: FYI-1005725 Edit

Molecule Structure InChIKey: CYHOMWAPJJPNMW-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C2CCC1CC(C2)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005725
FYIcenter.com

 25 26  0     1  0  0  0  0  0999 V2000
    2.1077   -1.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6196    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3562    0.1882    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0974   -0.7777    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7552   -0.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4963   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8764   -1.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -1.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196    2.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7256    0.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1802   -1.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491   -0.4984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    0.2679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3014   -1.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903   -1.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    0.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087   -0.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4706   -2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -2.1025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5939   -0.6614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6566    2.3468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8096    2.5738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.7268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  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  9  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
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005725-3D
FYIcenter.com

 25 26  0     1  0  0  0  0  0999 V2000
    2.9976    0.0063   -0.3390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0091    0.0059   -0.8764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894   -1.1518   -0.0642 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5832    1.1527   -0.0518 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9705   -0.7717    1.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9665    0.7590    1.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371   -1.2735   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9439    1.2681   -0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6830   -0.0065    0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430    0.0113   -1.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608   -2.0885   -0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0497    2.0953   -0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2829   -1.1854    2.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9761   -1.1352    1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703    1.1252    1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770    1.1612    2.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -2.1319    0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1721   -1.4898   -1.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.4949   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280    2.1188    0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -0.0079    1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -0.8633   -1.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060    0.8938   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0705    0.0082   -0.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -0.8139   -0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  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  9  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
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$