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
-0.8094 -0.8648 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2211 0.1499 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 1.2012 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0670 -0.0844 -1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7290 -0.2695 -2.2000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5072 -1.8544 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9909 -0.9618 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7853 -0.5969 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0640 1.9445 0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3124 1.3362 1.4824 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