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
    2.2855   -0.7715    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576    0.0324    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519    1.1114   -0.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1214   -0.4581    0.6189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    0.2233    0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593   -0.0647   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572    1.2138    1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988    2.0105    2.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542   -0.4996   -0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -1.8651    0.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6212   -0.5548    1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550   -0.7988   -1.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0128    0.4211   -0.7900 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