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
    2.4090   -0.1627   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678    0.0538   -0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5523    0.3017   -1.6317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0656   -0.0351    0.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007    0.1384    0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0282   -0.9219    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051    1.4330    0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3800    2.4822    0.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0347    0.1398   -1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -1.2025    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142    0.4814    0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941   -1.8979    0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0914   -0.8103    0.0331 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