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
-0.4832 -1.1352 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1719 0.1984 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 1.3095 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 0.2597 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7601 0.2907 -0.0858 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 -1.6316 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5734 -1.0702 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0846 -1.7679 0.8423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6211 1.2580 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0961 2.2887 0.0364 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