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
1.1709 -0.0263 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2193 0.0765 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0574 -0.9311 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6636 1.3477 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0295 2.3791 0.9609 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3227 -1.0028 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8998 0.0499 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3835 0.8061 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0543 -0.7832 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7527 -1.9158 -0.2728 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