4-hydroxycyclopent-2-en-1-one

C5H6O2 — CID 4169160

IUPAC4-hydroxycyclopent-2-en-1-one
SMILESO=C1C=CC(O)C1
InChIInChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H2
InChIKeyDHNDDRBMUVFQIZ-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.12
Rot. Bonds

About 4-hydroxycyclopent-2-en-1-one

4-hydroxycyclopent-2-en-1-one (PubChem CID 4169160) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxycyclopent-2-en-1-one
PubChem CID4169160
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name4-hydroxycyclopent-2-en-1-one
SMILESO=C1C=CC(O)C1
InChIInChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H2
InChIKeyDHNDDRBMUVFQIZ-UHFFFAOYSA-N
XLogP-0.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclopent-2-en-1-one?
The IUPAC name of 4-hydroxycyclopent-2-en-1-one (CID 4169160) is 4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxycyclopent-2-en-1-one is O=C1C=CC(O)C1.
What is the InChIKey of 4-hydroxycyclopent-2-en-1-one?
The InChIKey is DHNDDRBMUVFQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-2,4,6H,3H2.
What are the key properties of 4-hydroxycyclopent-2-en-1-one?
4-hydroxycyclopent-2-en-1-one has a molecular weight of 98.10 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 4169160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).