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
-0.8228 -0.7810 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 0.0881 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0833 1.2672 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6130 -0.3770 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7306 -0.7441 -0.0622 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6194 -0.9929 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4174 -1.7091 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2777 -0.2191 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 1.8696 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1015 1.5981 -0.5910 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