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
   -0.1203   -0.6990    1.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246   -0.4381   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1503    0.5157   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075    1.3407   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474    2.0160    0.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    0.2371    1.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6209   -1.5403    1.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587   -0.9991    1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160   -1.0853   -0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5585    0.6523   -1.9304 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