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
-1.1390 -0.3063 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1977 0.1712 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2458 -0.4026 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 1.1854 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4417 2.0311 -1.8921 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6122 0.2997 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7588 -0.3328 -0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0746 -1.3749 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1408 -1.1791 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2320 -0.0917 0.2129 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