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
0.1403 -1.2118 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0920 0.2175 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0873 0.8404 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 1.0799 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 1.7339 0.0516 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2304 -1.5541 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1978 -1.6029 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4899 -1.7639 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0403 0.3463 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0467 1.9148 0.1158 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