Monomers
Acrylonitrile
Identifiers
IUPAC name
prop-2-enenitrile
InchI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InchI Key
NLHHRLWOUZZQLW-UHFFFAOYSA-N
SMILES
C=CC#N
Canonical SMILES
C=CC#N
Isomeric SMILES
C=CC#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H3N
Heavy Atom Count
4
Molecular Weight
53.064
Exact Molecular Weight
53.0265
Valence Electrons
20
Radical Electrons
0
tPSA
23.79
MolLogP
0.696
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
7 6 0 0 0 0 0 0 0 0999 V2000
0.0913 0.9869 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3913 -0.2388 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2220 -1.1754 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7191 -1.9328 1.4293 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3481 1.6898 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9125 1.2858 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2056 -0.6155 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 3 0
1 5 1 0
1 6 1 0
2 7 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers