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
    2.3209    0.5774    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0126    0.1133   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9972   -0.5957   -1.3066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1947    0.4375    0.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3590   -0.0449   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8419   -1.2195    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    0.7009   -1.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6216    1.3219   -2.0913 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248    0.6450   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310    1.6011    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026   -0.0773    1.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7476   -1.6272   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621   -1.8323    0.8704 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