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
-0.8440 -0.8308 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2587 0.0811 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 1.2466 -0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6486 -0.2844 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7567 -0.5736 0.3227 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4659 -1.8548 0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -0.7772 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3056 -0.4830 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 1.9416 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0665 1.5345 -0.7418 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