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
-0.1357 0.9431 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 -0.2460 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 -0.2565 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7997 -1.4586 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3733 -2.3563 0.5466 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6853 0.9255 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1104 1.0843 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0631 1.9000 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2474 0.6215 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7588 -1.1570 -1.7728 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