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
   -0.7047   -1.5568    1.7444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167   -0.8173    0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581   -1.1177   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9654    0.0202   -0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900    1.1435   -0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6558    2.3461   -0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    0.5241    0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901   -2.1271   -0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868    0.1177   -1.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6397    0.3755   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    1.0916    1.2335 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