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
    2.2488    1.0142    0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222    0.1128    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1718   -0.9847    0.8089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1730    0.4847   -0.2995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -0.2318   -0.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4653   -1.4070    0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4643    0.4041   -0.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3819    0.8906   -1.4091 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    1.5846    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641    1.6760   -0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    0.3648    0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459   -2.0176    0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728   -1.8907    0.2412 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