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
-0.0228 -0.4285 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0118 0.0359 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0745 -0.6456 -1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1091 1.5167 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1796 2.6918 -0.4570 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0506 -1.5058 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9612 -0.0172 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8675 0.0259 1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1884 -1.6509 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0283 -0.0222 -2.1830 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