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
-1.1509 -0.3432 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2228 0.1235 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9288 -0.4343 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7731 1.2250 0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2062 2.1273 1.2807 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 -0.6143 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6734 0.4330 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0018 -1.2014 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9063 -0.0547 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5283 -1.2609 -1.5298 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