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
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
0.8449 -0.8397 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1388 0.1892 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8082 0.9970 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4680 0.2677 -1.5802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7381 0.3227 -2.7075 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8943 -0.7936 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4582 -1.8604 -0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8656 -0.7209 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4546 1.7079 0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4552 0.7300 1.7289 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