1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid

C6H6O4 — CID 10130015

IUPAC1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid
SMILESO=C1C=CC(O)(C(=O)O)C1
InChIInChI=1S/C6H6O4/c7-4-1-2-6(10,3-4)5(8)9/h1-2,10H,3H2,(H,8,9)
InChIKeyCPPCADFVLTZYFA-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.67
Rot. Bonds1

About 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid

1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid (PubChem CID 10130015) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid
PubChem CID10130015
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid
SMILESO=C1C=CC(O)(C(=O)O)C1
InChIInChI=1S/C6H6O4/c7-4-1-2-6(10,3-4)5(8)9/h1-2,10H,3H2,(H,8,9)
InChIKeyCPPCADFVLTZYFA-UHFFFAOYSA-N
XLogP-0.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid (CID 10130015) is 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid is O=C1C=CC(O)(C(=O)O)C1.
What is the InChIKey of 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid?
The InChIKey is CPPCADFVLTZYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-4-1-2-6(10,3-4)5(8)9/h1-2,10H,3H2,(H,8,9).
What are the key properties of 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid?
1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 10130015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).