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
1.0187 -0.4480 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2409 0.1201 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 -0.1632 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0287 0.9672 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6702 1.6636 1.4882 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9672 -0.5859 1.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3143 -1.3674 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8107 0.3423 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0257 -0.7966 -1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5376 0.2678 -1.6371 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