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
    1.3552   -0.1572   -1.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656   -0.0180   -0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173    0.0151   -1.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800    0.0737    0.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663    0.2044    1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003   -0.8938    1.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9704    1.4886    1.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    2.5199    1.9817 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795    0.6949   -1.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8887   -1.1028   -1.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0328   -0.1089   -3.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -0.8397    2.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489   -1.8762    1.4827 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