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
-0.8845 0.7126 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2119 -0.0970 0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 -1.3967 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3495 0.6318 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2898 1.2290 0.8902 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5664 1.0912 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8181 0.1332 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1018 1.6124 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0005 -1.9359 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6582 -1.9805 -0.2313 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