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
0.6002 -0.2111 -1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0054 0.0696 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2921 -0.0600 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7722 0.4799 1.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3770 0.8031 2.3323 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6598 -0.5788 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 0.7171 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0118 -0.9853 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8768 -0.3708 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 0.1364 1.3766 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