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
-1.1925 -0.2657 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2066 0.1408 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1652 -0.7511 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5320 1.5305 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7801 2.6789 0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8494 0.5640 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3522 -1.1066 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4211 -0.5317 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2050 -0.4699 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9264 -1.7893 0.0971 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