2,4-dihydroxycyclopent-3-en-1-one

C5H6O3 — CID 70552067

IUPAC2,4-dihydroxycyclopent-3-en-1-one
SMILESO=C1CC(O)=CC1O
InChIInChI=1S/C5H6O3/c6-3-1-4(7)5(8)2-3/h1,4,6-7H,2H2
InChIKeyNJGUXABXLMKENW-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.24
Rot. Bonds

About 2,4-dihydroxycyclopent-3-en-1-one

2,4-dihydroxycyclopent-3-en-1-one (PubChem CID 70552067) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2,4-dihydroxycyclopent-3-en-1-one.

Molecular Properties

Compound Name2,4-dihydroxycyclopent-3-en-1-one
PubChem CID70552067
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name2,4-dihydroxycyclopent-3-en-1-one
SMILESO=C1CC(O)=CC1O
InChIInChI=1S/C5H6O3/c6-3-1-4(7)5(8)2-3/h1,4,6-7H,2H2
InChIKeyNJGUXABXLMKENW-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dihydroxycyclopentenone
CID 10129926
2-Hydroxycyclopent-3-en-1-one
CID 10844341
2,5-Dihydroxycyclopent-3-en-1-one
CID 22660626
1,4-Dihydroxyhept-5-en-2-one
CID 59965404
2,5-Dihydroxycyclohex-3-en-1-one
CID 67543842
3-Hydroxycyclohex-4-ene-1,2-dione
CID 141398573
(E)-1,4-dihydroxyhept-5-en-2-one
CID 20678435

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxycyclopent-3-en-1-one?
The IUPAC name of 2,4-dihydroxycyclopent-3-en-1-one (CID 70552067) is 2,4-dihydroxycyclopent-3-en-1-one.
What is the SMILES notation for 2,4-dihydroxycyclopent-3-en-1-one?
The canonical SMILES for 2,4-dihydroxycyclopent-3-en-1-one is O=C1CC(O)=CC1O.
What is the InChIKey of 2,4-dihydroxycyclopent-3-en-1-one?
The InChIKey is NJGUXABXLMKENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-3-1-4(7)5(8)2-3/h1,4,6-7H,2H2.
What are the key properties of 2,4-dihydroxycyclopent-3-en-1-one?
2,4-dihydroxycyclopent-3-en-1-one has a molecular weight of 114.10 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxycyclopent-3-en-1-one is sourced from PubChem (CID 70552067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).