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
-1.0079 -0.4835 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1164 0.1706 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3137 -0.3409 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0707 1.3521 0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2115 2.3021 1.6021 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6202 -0.9251 -1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4540 -1.2506 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7130 0.3171 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1913 0.0775 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4557 -1.2192 -0.5609 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