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
   -0.9936   -2.1695    0.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170   -1.0873    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -0.8008    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1924    0.5224    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942    1.1848    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3627    2.4004    0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0738    0.1342   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7767   -1.5723    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462    1.0291    0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0726    0.2994    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1126    0.0597   -1.4670 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