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
1.0368 -0.2517 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 0.1518 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9281 -0.7412 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 1.5306 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0140 2.6290 0.1819 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7872 0.5728 -0.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5596 -1.1040 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8044 -0.5430 -1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8382 -0.4699 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5744 -1.7744 0.6736 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