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
0.5047 -1.0874 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0484 0.2522 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1413 0.6153 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6722 1.1842 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2002 1.8726 1.6600 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3665 -1.3047 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3009 -1.8710 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8568 -1.1892 -1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6211 -0.0956 -1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4888 1.6235 -0.3885 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