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
    0.1592    0.8268    2.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.1006    1.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -0.9606    1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3295    0.4841    0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0319   -0.2577   -1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    0.1393   -2.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7489   -1.4524   -0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933   -2.4054   -0.8650 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731    0.2482    3.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777    0.7998    3.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    1.8504    2.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2615   -0.4077   -3.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0568    1.0345   -2.3356 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