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
-0.4866 0.7119 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4470 0.1316 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2850 -1.2035 -0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1625 -2.2992 -1.0786 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4290 0.2540 0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3233 1.7115 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3445 0.6938 -0.3556 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