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
0.2402 -0.5264 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0444 0.1662 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1948 -0.4621 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1584 1.5937 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2500 2.7667 -0.1148 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3341 -0.6230 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2087 -1.5391 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2110 0.0623 1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1069 -1.5367 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4001 0.0985 -2.2205 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