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
   -0.7502   -2.1985    0.7275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3059   -1.1205    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636   -0.7450   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568    0.5896   -0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489    1.1698    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3877    2.3496    0.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275    0.0715   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8685   -1.4577   -0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407    1.1743   -0.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799    0.0003   -1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0295    0.1666    0.5364 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