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
    0.1509   -1.9710   -1.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -1.0011   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4578   -1.4285    0.8107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688    0.3022   -0.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3142    1.2251    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7631    1.9459    0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681    1.4462    1.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4265    1.6284    2.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542   -1.4764   -2.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8129   -2.8305   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672   -2.3673   -1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6862    1.8396    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059    2.6872    1.6130 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