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
-0.4429 -0.3017 -0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 -0.0127 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 0.4464 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9462 0.8346 1.2624 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 -0.6487 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3661 -0.1999 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1281 -0.1181 1.0009 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