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
    2.2797    0.7938   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8568    0.4487   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2949    0.7137   -1.5568 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1166   -0.1719    0.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2137   -0.5109    0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554   -1.1022    1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178   -0.1963   -0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3153    0.0405   -1.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    0.6450   -1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093    1.8735    0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6509    0.1336    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.3052    2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8817   -1.3622    1.1542 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