Monomers
Methacrylonitrile
Identifiers
IUPAC name
2-methylprop-2-enenitrile
InchI
InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
InchI Key
GYCMBHHDWRMZGG-UHFFFAOYSA-N
SMILES
CC(=C)C#N
Canonical SMILES
CC(=C)C#N
Isomeric SMILES
CC(=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
-0.3240 -0.9979 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0605 0.2313 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3311 0.2357 1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1334 1.4685 -0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2031 2.4753 -1.2614 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5895 -1.6074 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8941 -0.7193 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9980 -1.5788 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2959 -0.6602 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6026 1.1529 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 3 0
1 6 1 0
1 7 1 0
1 8 1 0
3 9 1 0
3 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers