2-hydroxycyclopent-3-en-1-one

C5H6O2 — CID 10844341

IUPAC2-hydroxycyclopent-3-en-1-one
SMILESO=C1CC=CC1O
InChIInChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-2,4,6H,3H2
InChIKeyFRNJUUAMCJVDGM-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.12
Rot. Bonds

About 2-hydroxycyclopent-3-en-1-one

2-hydroxycyclopent-3-en-1-one (PubChem CID 10844341) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2-hydroxycyclopent-3-en-1-one.

Molecular Properties

Compound Name2-hydroxycyclopent-3-en-1-one
PubChem CID10844341
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2-hydroxycyclopent-3-en-1-one
SMILESO=C1CC=CC1O
InChIInChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-2,4,6H,3H2
InChIKeyFRNJUUAMCJVDGM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclopent-3-en-1-one?
The IUPAC name of 2-hydroxycyclopent-3-en-1-one (CID 10844341) is 2-hydroxycyclopent-3-en-1-one.
What is the SMILES notation for 2-hydroxycyclopent-3-en-1-one?
The canonical SMILES for 2-hydroxycyclopent-3-en-1-one is O=C1CC=CC1O.
What is the InChIKey of 2-hydroxycyclopent-3-en-1-one?
The InChIKey is FRNJUUAMCJVDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-2,4,6H,3H2.
What are the key properties of 2-hydroxycyclopent-3-en-1-one?
2-hydroxycyclopent-3-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 2-hydroxycyclopent-3-en-1-one is sourced from PubChem (CID 10844341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).