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
-0.8804 -0.8382 0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2159 0.0954 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0332 1.3867 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5431 -0.4616 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6175 -0.9103 -0.2644 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2187 -1.3108 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6918 -0.1981 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4953 -1.5764 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8427 2.0372 -0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9661 1.7761 -0.1572 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