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
    0.1591   -1.8601   -1.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0841   -0.9853   -0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160   -1.4553    0.5496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456    0.3559   -0.4493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123    1.1082    0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3187    2.3897    0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129    0.5900    1.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0985    0.1871    2.8312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7721   -2.2058   -2.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912   -2.7025   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -1.3296   -2.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1551    3.0514    1.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867    2.8564   -0.2030 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