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
-0.8664 -0.8321 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2427 0.0939 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0372 1.3053 0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5905 -0.3313 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7088 -0.6803 -0.2315 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6652 -1.2015 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9013 -1.7141 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8083 -0.2784 -0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7718 1.9781 0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0356 1.6604 0.6363 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