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
-0.6818 -0.9506 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 0.2215 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2899 0.1585 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5504 1.5657 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0286 2.5917 0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6974 -1.8047 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7339 -0.6070 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2045 -1.3323 -1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7261 -0.8692 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7970 1.0263 0.9167 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