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
-1.0508 -0.6659 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2500 0.0472 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2855 1.3405 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4268 -0.6835 0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3959 -1.2665 0.7582 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 0.0089 0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 -1.0669 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0414 -1.5258 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5474 1.9328 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2322 1.8793 0.0520 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