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
    2.4088   -0.4109    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931   -0.0761    0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5776    0.2577    1.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0275   -0.0915   -0.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3080    0.2337   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2032   -0.6652   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6955    1.6047   -0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0096    2.7285   -0.6617 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6073   -1.5157    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082    0.0964    0.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893   -0.0739   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -1.7125    0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2273   -0.3752    0.1416 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