Molecule Editor

Molecule ID: FYI-1005941 Edit

Molecule Structure InChIKey: KVNRLNFWIYMESJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1005941
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   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
    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  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005941-3D
FYIcenter.com

 12 11  0     0  0  0  0  0  0999 V2000
    2.3876   -0.2710   -0.0066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0885   -0.5069    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    0.6392    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186    0.0090   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2986    0.1296   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444   -1.1307    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -1.1554   -0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2305    1.2724    0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2380    1.2714   -0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254    0.6328    0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7056    0.6048   -0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236   -0.8282   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  3  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
$$$$