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
   -1.2854   -0.3070   -2.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7416   -0.3120   -0.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -0.8052    0.0372 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5119    0.2294   -0.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9992    0.2131    0.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313    1.2209    1.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7818   -0.8913    1.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140   -1.7976    1.5199 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755   -0.5022   -3.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996    0.7080   -2.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1078   -1.0203   -2.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1486    2.0415    1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.2228    2.4647 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