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
    2.3288   -0.4219   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8731   -0.1975   -0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125   -0.0751   -1.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1025   -0.1192    0.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2646    0.0888    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6996    1.3313    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1598   -1.0240    0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8918   -1.9365    0.4883 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476   -1.3421   -0.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8562    0.4701   -0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6742   -0.5252    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7532    1.5758    0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259    2.1756    0.6379 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