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
-0.0171 -1.1103 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1123 0.2141 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0169 0.8819 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3627 0.8101 -0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3604 1.3000 -0.7878 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3882 -1.8938 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5567 -1.0803 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0802 -1.4463 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 1.8507 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9777 0.4738 -0.0949 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