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
-0.7901 0.9156 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2319 -0.0981 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0219 -1.3473 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4359 0.2446 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4365 0.5107 -1.3477 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7856 0.4090 0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7234 1.8157 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7085 1.2596 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7772 -2.0795 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8959 -1.6302 0.8017 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