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
-0.8603 0.8116 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2394 -0.1142 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0163 -0.9948 -0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4999 -0.0547 0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5358 0.0137 1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 1.0469 1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7965 1.7602 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8166 0.3032 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9133 -1.0945 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8072 -1.6773 -1.2130 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