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
-0.0239 0.1818 1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0240 0.0325 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 -0.9761 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6965 1.0526 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2514 1.8598 -1.6318 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 -0.3396 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8772 -0.2764 1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0687 1.2247 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5201 -1.0331 -1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0460 -1.7263 -0.2899 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