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
    2.3567   -0.5217    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629    0.1442    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0975    1.3608   -0.3071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1290   -0.5350    0.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    0.0601   -0.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4603   -0.6298   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802    1.4472   -0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052    2.5774   -0.8462 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1079   -0.2173   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443   -0.1941    1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260   -1.6395    0.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540   -1.6764    0.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4201   -0.1760   -0.3192 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