Monomers

4-Cyclopentene-1,3-dione

Identifiers

IUPAC name
cyclopent-4-ene-1,3-dione
InchI
InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
InchI Key
MCFZBCCYOPSZLG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)C1
Canonical SMILES
C1C(=O)C=CC1=O
Isomeric SMILES
C1C(=O)C=CC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H4O2
Heavy Atom Count
7
Molecular Weight
96.085
Exact Molecular Weight
96.0211
Valence Electrons
36
Radical Electrons
0
tPSA
34.14
MolLogP
0.0845
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.6643   -2.2649    0.6608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2656   -1.1441    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082   -0.6718    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160    0.6441    0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2649    1.1511    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386    2.3056    0.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094   -0.0231   -0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9763   -1.3183    0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9644    1.3334   -0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1045    0.0047    0.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178   -0.0167   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  1  0
  3  8  1  0
  4  9  1  0
  7 10  1  0
  7 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers