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
0.0492 -1.1815 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0981 0.2242 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6392 1.1280 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0228 0.6004 1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7647 0.9200 1.9697 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 -1.4229 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6909 -1.5054 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1546 -1.8023 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3449 0.8539 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6099 2.1856 -0.2438 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