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
-0.7258 0.0381 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0776 -0.0468 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3299 0.3192 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5203 -0.5253 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0045 -0.8919 -2.4238 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6881 -0.8804 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8045 0.1568 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 0.9011 1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8229 0.6901 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8879 0.2391 -1.1532 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