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
-0.4657 -0.8293 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1302 0.1051 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0164 1.4108 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8081 -0.4578 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3670 -0.9122 2.2852 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8537 -0.2703 -1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2849 -1.4304 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3321 -1.5134 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4421 2.0910 0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4916 1.8065 -0.8040 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