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
    2.0537   -0.1572   -1.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6902   -0.0203   -1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679    0.0590   -1.8713 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3478    0.0310    0.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    0.1624    0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295   -0.8894    0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490    1.5025    0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8510    2.5791    1.0567 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439   -1.1039   -2.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.7059   -2.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474   -0.2253   -0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7421   -0.7533    1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3614   -1.8905    0.8350 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