Molecule Editor

Molecule ID: FYI-1015758 Edit

Molecule Structure InChIKey: QSTJOOUALACOSX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1N=CCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015758
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    3.4282    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015758-3D
FYIcenter.com

 10 10  0     0  0  0  0  0  0999 V2000
    1.9892   -0.1042   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046   -1.0984    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    1.1381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759   -0.6897   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2089    0.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7669   -0.0261    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843   -1.0128    0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9837   -1.0126   -0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1977   -2.0675   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0426    1.4968   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
$$$$