4,5-dihydroxycyclopent-4-ene-1,2,3-trione

C5H2O5 — CID 546874

IUPAC4,5-dihydroxycyclopent-4-ene-1,2,3-trione
SMILESO=c1c(O)c(O)c(=O)c1=O
InChIInChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H
InChIKeyRBSLJAJQOVYTRQ-UHFFFAOYSA-N
MW142.07 g/mol
LogP-1.95
Rot. Bonds

About 4,5-dihydroxycyclopent-4-ene-1,2,3-trione

4,5-dihydroxycyclopent-4-ene-1,2,3-trione (PubChem CID 546874) has the molecular formula C5H2O5 and a molecular weight of 142.07 g/mol. Its IUPAC name is 4,5-dihydroxycyclopent-4-ene-1,2,3-trione.

Molecular Properties

Compound Name4,5-dihydroxycyclopent-4-ene-1,2,3-trione
PubChem CID546874
Molecular FormulaC5H2O5
Molecular Weight142.07 g/mol
Exact Mass141.99
IUPAC Name4,5-dihydroxycyclopent-4-ene-1,2,3-trione
SMILESO=c1c(O)c(O)c(=O)c1=O
InChIInChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H
InChIKeyRBSLJAJQOVYTRQ-UHFFFAOYSA-N
XLogP-1.95
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.07
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4,5-dihydroxycyclopent-4-ene-1,2,3-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

croconic acid disodium salt
CID 12120285
3,4,5-Trioxocyclopentene-1,2-diolate
CID 5246919
CID 16212503
CID 16212503
Croconic acid (disodium)
CID 172638477
4,5-Dihydroxycyclopent-4-ene-1,2,3-trione;trihydrate
CID 67762226
4,5-Dihydroxycyclopent-4-ene-1,3-dione
CID 68419394
4-Deuterio-5-hydroxycyclopent-4-ene-1,2,3-trione
CID 118066945
4,5-Dihydroxycyclopent-4-ene-1,2,3-trione;hydrate
CID 140374687
4,5-Dihydroxy-2-sulfanylidenecyclopent-4-ene-1,3-dione
CID 166127209
4-Hydroxycyclopent-4-ene-1,2,3-trione
CID 169684575
Disodium;3,4,5-trioxocyclopenten-1-olate;hydroxide
CID 178444607
2-Hydroxy-3,4,5-trioxocyclopenten-1-olate
CID 5091734

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
The IUPAC name of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione (CID 546874) is 4,5-dihydroxycyclopent-4-ene-1,2,3-trione.
What is the SMILES notation for 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
The canonical SMILES for 4,5-dihydroxycyclopent-4-ene-1,2,3-trione is O=c1c(O)c(O)c(=O)c1=O.
What is the InChIKey of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
The InChIKey is RBSLJAJQOVYTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H.
What are the key properties of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
4,5-dihydroxycyclopent-4-ene-1,2,3-trione has a molecular weight of 142.07 g/mol, XLogP of -1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxycyclopent-4-ene-1,2,3-trione is sourced from PubChem (CID 546874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).