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
1.2569 -0.0232 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2475 0.0877 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9874 -1.0060 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8375 1.3846 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3257 2.4346 -0.1059 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5757 -1.0512 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5322 0.5754 0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6539 0.4451 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0510 -0.8624 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -1.9845 -0.0351 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