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
-0.7200 -0.5298 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1515 0.2057 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4858 -0.3766 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 1.5266 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0061 2.6037 0.4758 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0703 -1.2620 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2160 0.1397 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5122 -1.0980 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 0.1653 -1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1335 -1.3746 -1.4863 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