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
   -0.9343    0.9414    2.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609    0.3018    1.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984   -0.0999    1.3533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907    0.1281   -0.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3192   -0.4615   -1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1462   -0.5999   -2.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356   -0.9018   -0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078   -1.2499   -0.5034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721    0.3163    3.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185    1.9587    2.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9853    0.9803    1.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359   -0.2550   -2.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827   -1.0586   -3.1428 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