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
    2.3254   -0.7039   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0702    0.0850   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562    1.2141   -0.8431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1013   -0.4145    0.2205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184    0.2090    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755   -0.3705    0.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4504    1.4896   -0.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    2.5549   -0.9165 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2668   -1.4144    0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196   -1.3332   -1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2068   -0.0560    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3011   -1.3542    1.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3533    0.0939    0.6847 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