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
-0.9736 0.7567 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2271 -0.0842 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4286 -1.1995 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1895 0.3423 1.3926 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9700 0.6941 2.1722 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7350 1.8299 0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3419 0.4889 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7859 0.5177 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2938 -1.8030 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2726 -1.5429 -1.0008 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