2-hydroxy-3,4,5-trioxocyclopenten-1-olate

C5HO5- — CID 5091734

IUPAC2-hydroxy-3,4,5-trioxocyclopenten-1-olate
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/p-1
InChIKeyRBSLJAJQOVYTRQ-UHFFFAOYSA-M
MW141.06 g/mol
LogP-2.58
Rot. Bonds

About 2-hydroxy-3,4,5-trioxocyclopenten-1-olate

2-hydroxy-3,4,5-trioxocyclopenten-1-olate (PubChem CID 5091734) has the molecular formula C5HO5- and a molecular weight of 141.06 g/mol. Its IUPAC name is 2-hydroxy-3,4,5-trioxocyclopenten-1-olate.

Molecular Properties

Compound Name2-hydroxy-3,4,5-trioxocyclopenten-1-olate
PubChem CID5091734
Molecular FormulaC5HO5-
Molecular Weight141.06 g/mol
Exact Mass140.98
IUPAC Name2-hydroxy-3,4,5-trioxocyclopenten-1-olate
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/p-1
InChIKeyRBSLJAJQOVYTRQ-UHFFFAOYSA-M
XLogP-2.58
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.06
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4,5-trioxocyclopenten-1-olate?
The IUPAC name of 2-hydroxy-3,4,5-trioxocyclopenten-1-olate (CID 5091734) is 2-hydroxy-3,4,5-trioxocyclopenten-1-olate.
What is the SMILES notation for 2-hydroxy-3,4,5-trioxocyclopenten-1-olate?
The canonical SMILES for 2-hydroxy-3,4,5-trioxocyclopenten-1-olate is O=c1c([O-])c(O)c(=O)c1=O.
What is the InChIKey of 2-hydroxy-3,4,5-trioxocyclopenten-1-olate?
The InChIKey is RBSLJAJQOVYTRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H/p-1.
What are the key properties of 2-hydroxy-3,4,5-trioxocyclopenten-1-olate?
2-hydroxy-3,4,5-trioxocyclopenten-1-olate has a molecular weight of 141.06 g/mol, XLogP of -2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4,5-trioxocyclopenten-1-olate is sourced from PubChem (CID 5091734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).