Molecule Editor

Molecule ID: FYI-1016151 Edit

Molecule Structure InChIKey: MQSRGWNVEZRLDK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=CCc1c[nH]cn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016151
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    5.8531    1.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    2.0923    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
    4.9163    0.1306    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016151-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    2.2008    0.9505    0.6537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282   -1.0312    0.4517 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9404    0.9006   -0.1550 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0737   -0.3791   -0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2560   -0.9498   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601    0.8103   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.2244    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3766   -0.0770    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3665   -1.9418   -0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4147   -1.0524   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9390   -1.9431    0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2281    1.6076   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324   -0.5133    1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964   -0.4389   -0.2102 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  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$