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
-0.5170 1.1246 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1786 -0.1885 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1189 -1.1227 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1398 -0.4265 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9231 -0.6405 1.9491 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6179 0.9495 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3529 1.5830 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1854 1.7693 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 -2.0823 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8291 -0.9658 -1.6035 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