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
0.0422 1.0565 -0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0742 -0.3476 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0098 -0.4076 1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0818 -1.4681 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 -2.3646 -1.5990 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3974 1.8064 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5054 1.0995 -1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0992 1.1867 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0180 -1.1627 2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1150 0.6015 1.8066 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