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
    0.0919    0.1260    2.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -0.1299    0.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.7474    0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5255    0.3100    0.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412    0.0503   -1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0988    0.4813   -2.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9253   -0.6545   -1.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   -1.2099   -2.0994 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759    0.7924    2.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703   -0.8396    2.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315    0.5150    2.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004    0.2919   -3.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871    1.0144   -1.9122 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