1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid

C7H8O4 — CID 85287629

IUPAC1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
SMILESO=C1C=CCC(O)(C(=O)O)C1
InChIInChI=1S/C7H8O4/c8-5-2-1-3-7(11,4-5)6(9)10/h1-2,11H,3-4H2,(H,9,10)
InChIKeyPZLPBXHBCCBRGN-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.28
Rot. Bonds1

About 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid

1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid (PubChem CID 85287629) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
PubChem CID85287629
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
SMILESO=C1C=CCC(O)(C(=O)O)C1
InChIInChI=1S/C7H8O4/c8-5-2-1-3-7(11,4-5)6(9)10/h1-2,11H,3-4H2,(H,9,10)
InChIKeyPZLPBXHBCCBRGN-UHFFFAOYSA-N
XLogP-0.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-hydroxycyclohex-3-ene-1-carboxylic acid
CID 25068053
methyl (1S)-1-hydroxy-2-oxocyclohex-3-ene-1-carboxylate
CID 130636775
1-Hydroxy-6-oxocyclohex-3-ene-1-carboxylic acid
CID 10057750
2-Cyclopentene-1-carboxylic acid, 1-hydroxy-4-oxo-
CID 10130015
1-Hydroxycyclohex-3-ene-1-carboxylic acid
CID 23089661
(6R)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one
CID 59123702
(6S)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
CID 59123704
(6R)-6-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-one
CID 59123706
(6S)-6-(dihydroxymethyl)-6-hydroxycyclohex-2-en-1-one
CID 59123707
(2R,3R)-2,3-di(but-2-enoyl)-2,3-dihydroxybutanedioic acid
CID 154210618
2,3-Di(but-2-enoyl)-2,3-dihydroxybutanedioic acid
CID 163758502
1,2,6-Trihydroxy-5-oxocyclohex-3-ene-1-carboxylic acid
CID 172744262

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid (CID 85287629) is 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid is O=C1C=CCC(O)(C(=O)O)C1.
What is the InChIKey of 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
The InChIKey is PZLPBXHBCCBRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-5-2-1-3-7(11,4-5)6(9)10/h1-2,11H,3-4H2,(H,9,10).
What are the key properties of 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid?
1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-oxocyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 85287629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).