Monomers

Crotononitrile

Identifiers

IUPAC name
(E)-but-2-enenitrile
InchI
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InchI Key
NKKMVIVFRUYPLQ-NSCUHMNNSA-N
SMILES
C/C=C/C#N
Canonical SMILES
CC=CC#N
Isomeric SMILES
C/C=C/C#N
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5N
Heavy Atom Count
5
Molecular Weight
67.091
Exact Molecular Weight
67.0422
Valence Electrons
26
Radical Electrons
0
tPSA
23.79
MolLogP
1.0861
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.7505   -0.8633    0.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472   -0.3943    0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798    0.6989   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868    1.4407   -0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    2.0438   -1.3564 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -1.3967   -0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7949   -1.5818    1.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.0149    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531   -0.9655    0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0073    1.0032   -0.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  3  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  3 10  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers