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
   -0.3826    2.3473    0.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129    1.1717    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840    0.5338   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0398   -0.7860   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -1.1034    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503   -2.1505    0.7702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063    0.0997   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0963    1.0985   -0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -1.5403   -0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0467    0.2472    0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2873    0.0820   -1.2973 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