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
   -2.1860   -0.3372   -0.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693   -0.0531   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0372    0.2053   -1.5993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509   -0.0485    0.6129 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747    0.2233    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459   -0.7665    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503    1.5927    1.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484    2.7106    1.2320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4419   -1.4151   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4042    0.0031   -2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969    0.2226   -0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081   -0.5719    1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5847   -1.7653    0.6881 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