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
    1.0698    0.0867   -2.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461   -0.0989   -0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299   -0.7191   -0.0633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5291    0.3647   -0.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514    0.1335    1.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5050   -0.7981    1.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058    1.2009    2.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0866    1.9696    2.7253 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817    0.6065   -2.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2762   -0.9226   -2.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0379    0.6399   -2.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628   -0.8237    2.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9742   -1.6395    1.0228 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