5-hydroxy-4-methylcyclopent-2-en-1-one

C6H8O2 — CID 20578853

IUPAC5-hydroxy-4-methylcyclopent-2-en-1-one
SMILESCC1C=CC(=O)C1O
InChIInChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h2-4,6,8H,1H3
InChIKeyHHRWLPSFRHWAPU-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.12
Rot. Bonds

About 5-hydroxy-4-methylcyclopent-2-en-1-one

5-hydroxy-4-methylcyclopent-2-en-1-one (PubChem CID 20578853) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-hydroxy-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-4-methylcyclopent-2-en-1-one
PubChem CID20578853
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name5-hydroxy-4-methylcyclopent-2-en-1-one
SMILESCC1C=CC(=O)C1O
InChIInChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h2-4,6,8H,1H3
InChIKeyHHRWLPSFRHWAPU-UHFFFAOYSA-N
XLogP0.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methylcyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-4-methylcyclopent-2-en-1-one (CID 20578853) is 5-hydroxy-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-4-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-4-methylcyclopent-2-en-1-one is CC1C=CC(=O)C1O.
What is the InChIKey of 5-hydroxy-4-methylcyclopent-2-en-1-one?
The InChIKey is HHRWLPSFRHWAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h2-4,6,8H,1H3.
What are the key properties of 5-hydroxy-4-methylcyclopent-2-en-1-one?
5-hydroxy-4-methylcyclopent-2-en-1-one has a molecular weight of 112.13 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 5-hydroxy-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 20578853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).