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
    0.8016   -2.2305   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983   -0.9023   -0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -0.5487   -1.2193 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476   -0.0116    0.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360    1.1929    0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2336    2.2000    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5776    1.2768    1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5927    1.3587    1.9142 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270   -2.8192    0.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249   -2.7700   -1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803   -2.0061   -0.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1644    2.1120   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3265    3.1480    0.0826 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