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
    2.3672    0.2799   -0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -0.3360   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717   -1.5121    0.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209    0.4696   -0.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2954    0.1693    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -0.9710    0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636    1.2621    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0318    2.1179    0.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885    0.6482   -1.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    1.1976    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2303   -0.3728   -0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8389   -1.0831    0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1978   -1.8698    0.7911 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