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
    2.4383   -0.2533   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777   -0.4702   -0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521   -1.6498   -0.2880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    0.5519   -0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044    0.3631   -0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901    1.4210   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749   -0.9532   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3505   -2.0145    0.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8599   -0.8789   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6592    0.8074   -0.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9193   -0.6057    0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1561    1.2925   -0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6791    2.3896   -0.3327 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