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
-0.5214 -1.0999 0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 0.1508 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4732 1.2773 -0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6195 0.1631 -0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7601 0.1619 -0.6174 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1007 -1.4062 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1990 -1.8507 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1936 -0.8692 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5219 1.2669 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0231 2.2061 -0.3172 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