2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one

C7H10O3 — CID 11240545

IUPAC2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one
SMILESO=C1CCC(CCO)=C1O
InChIInChI=1S/C7H10O3/c8-4-3-5-1-2-6(9)7(5)10/h8,10H,1-4H2
InChIKeyNRYABLFNRBOMDT-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.54
Rot. Bonds2

About 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one

2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one (PubChem CID 11240545) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one
PubChem CID11240545
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one
SMILESO=C1CCC(CCO)=C1O
InChIInChI=1S/C7H10O3/c8-4-3-5-1-2-6(9)7(5)10/h8,10H,1-4H2
InChIKeyNRYABLFNRBOMDT-UHFFFAOYSA-N
XLogP0.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-2-hydroxy-2-cyclopenten-1-one
CID 62752
2-Hydroxy-3-propyl-2-cyclopenten-1-one
CID 520224
5-Hydroxy-2,3-dimethylcyclopent-2-enone
CID 11116065
2-Hydroxy-3-methylcyclohex-2-en-1-one
CID 640704
3-Butyl-2-hydroxy-2-cyclopenten-1-one
CID 574517
2-Hydroxy-3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
CID 85624171
2-Cyclopenten-1-one, 5-hydroxy-2,3-dimethyl-
CID 534047
3-(2-Hydroxyethyl)cyclopent-2-en-1-one
CID 68125591
1-(2-Hydroxycyclopenten-1-yl)ethanone
CID 7058077
2-Hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-one
CID 21576730
2-(2-Hydroxyethyl)-3-methylcyclopent-2-en-1-one
CID 13027965
3-Hydroxy-2-(6-hydroxyhexyl)cyclopent-2-en-1-one
CID 23344507

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one?
The IUPAC name of 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one (CID 11240545) is 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one is O=C1CCC(CCO)=C1O.
What is the InChIKey of 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one?
The InChIKey is NRYABLFNRBOMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-3-5-1-2-6(9)7(5)10/h8,10H,1-4H2.
What are the key properties of 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one?
2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-hydroxyethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 11240545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).