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
    2.3910    0.6063   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -0.1088   -0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9418   -1.2770   -0.7815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0611    0.4645    0.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3245    0.0113    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7463   -1.1655   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992    0.9133    0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0626    1.6391    1.3929 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769    1.2577   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5211    1.2060    0.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1682   -0.1614   -0.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.9220   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8100   -1.4634    0.0896 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