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
    2.3797    0.5462    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0578   -0.0730    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1134   -1.1428   -0.4155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    0.4455    0.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3780   -0.0008    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -1.0909   -0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4810    0.8376    0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3265    1.5054    1.2398 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2130    1.5244    1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9369   -0.1638    1.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    0.6318   -0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9271   -1.7198   -0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7469   -1.2999   -0.4649 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