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
    2.3675   -0.2748    0.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    0.1564   -0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924    1.0688   -0.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -0.4813    0.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -0.1686   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234    0.7431    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656   -0.8253   -1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -1.3650   -2.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4982   -1.3528    0.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1319    0.1866   -0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5719    0.0304    1.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    1.2440    1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362    1.0383    0.3696 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