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
-1.0442 0.1981 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1460 0.0133 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 -0.6090 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1252 0.5061 -1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1017 0.9284 -2.6737 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4590 -0.7967 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6092 0.5990 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7739 0.8811 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0637 -0.7380 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2312 -0.9824 1.2543 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