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
   -0.8992    0.0789    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    0.4511   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0797   -0.5389   -0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7775   -1.3303   -1.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5266    0.8156    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047   -0.9477    0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345    1.4713   -0.0085 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