Monomers

1-Cyanovinyl acetate

Identifiers

IUPAC name
1-cyanoethenyl acetate
InchI
InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
InchI Key
LFSHREXVLSTLFB-UHFFFAOYSA-N
SMILES
CC(=O)OC(=C)C#N
Canonical SMILES
CC(=O)OC(=C)C#N
Isomeric SMILES
CC(=O)OC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5NO2
Heavy Atom Count
8
Molecular Weight
111.1
Exact Molecular Weight
111.032
Valence Electrons
42
Radical Electrons
0
tPSA
50.09
MolLogP
0.5868
H Bond Acceptors
3
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

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.8120   -1.6565    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9757   -0.4303   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4937    0.6774   -0.4048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3926   -0.4589    0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2094    0.6455   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    1.4943    0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7528    0.8847   -1.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881    1.0971   -2.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4457   -2.1510    1.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656   -1.4114    0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   -2.3517   -0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155    1.3191    1.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1588    2.3418    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  3  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  6 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers