(4R,5S)-4,5-dihydroxycyclopent-2-en-1-one

C5H6O3 — CID 59934929

IUPAC(4R,5S)-4,5-dihydroxycyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H6O3/c6-3-1-2-4(7)5(3)8/h1-3,5-6,8H/t3-,5+/m1/s1
InChIKeyHLOLRONOOCGTRG-WUJLRWPWSA-N
MW114.10 g/mol
LogP-1.15
Rot. Bonds

About (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one

(4R,5S)-4,5-dihydroxycyclopent-2-en-1-one (PubChem CID 59934929) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4,5-dihydroxycyclopent-2-en-1-one
PubChem CID59934929
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name(4R,5S)-4,5-dihydroxycyclopent-2-en-1-one
SMILESO=C1C=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H6O3/c6-3-1-2-4(7)5(3)8/h1-3,5-6,8H/t3-,5+/m1/s1
InChIKeyHLOLRONOOCGTRG-WUJLRWPWSA-N
XLogP-1.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4,5-Dihydroxy-5-(hydroxymethyl)-2-cyclopenten-1-one
CID 162082
4-Hydroxycyclopent-2-en-1-one
CID 4169160
5-Epipentenomycin I
CID 10261204
(4R,5S)-4,5-dihydroxy-3-methylcyclopent-2-en-1-one
CID 15098266
4,5-Dihydroxy-2-propenylcyclopent-2-enone
CID 131236897
4-Hydroxy-2-cyclopentenone
CID 124711
(R)-4-Hydroxycyclopent-2-enone
CID 6558436
2,4-Dihydroxycyclopentenone
CID 10129926
2-Cyclopenten-1-one, 4,5-dihydroxy-
CID 10197660
trans-4,5-Dihydr-oxy-2-cyclopenten-1-one
CID 57503889
Ketocatechol
CID 101386046
4,5-Dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
CID 328263

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one (CID 59934929) is (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one is O=C1C=C[C@@H](O)[C@@H]1O.
What is the InChIKey of (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one?
The InChIKey is HLOLRONOOCGTRG-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H6O3/c6-3-1-2-4(7)5(3)8/h1-3,5-6,8H/t3-,5+/m1/s1.
What are the key properties of (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one?
(4R,5S)-4,5-dihydroxycyclopent-2-en-1-one has a molecular weight of 114.10 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dihydroxycyclopent-2-en-1-one is sourced from PubChem (CID 59934929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).