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
   -0.6018    2.3146    0.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2094    1.1550    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1403    0.6165    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676   -0.7033    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239   -1.1333    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -2.2138    0.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0739    0.0342   -0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    1.2057    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -1.4001    0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311    0.0211   -1.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0949    0.1034    0.0432 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