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

C7H10O3 — CID 75274412

IUPAC4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one
SMILESCC(O)C1=CC(=O)CC1O
InChIInChI=1S/C7H10O3/c1-4(8)6-2-5(9)3-7(6)10/h2,4,7-8,10H,3H2,1H3
InChIKeyZUZLKFINQULJRF-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.37
Rot. Bonds1

About 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one

4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one (PubChem CID 75274412) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one
PubChem CID75274412
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one
SMILESCC(O)C1=CC(=O)CC1O
InChIInChI=1S/C7H10O3/c1-4(8)6-2-5(9)3-7(6)10/h2,4,7-8,10H,3H2,1H3
InChIKeyZUZLKFINQULJRF-UHFFFAOYSA-N
XLogP-0.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-
CID 11083
Cinerolon
CID 5374041
(4S)-4-Hydroxy-3-methyl-2-(2Z)-2,4-pentadien-1-yl-2-cyclopenten-1-one
CID 11789781
(Z,S)-jasmololone
CID 12304693
Jasmolone
CID 5374699
(Z,S)-cinerolone
CID 13074022
Spiromastixin
CID 170990064
Columbetdione
CID 10954153
2-But-2-enyl-4-hydroxy-3-methylcyclopent-2-en-1-one
CID 86525
2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-, (S)-
CID 12225760
Trichoderone
CID 44820524
3-hydroxytrichodenone C
CID 139590701

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one (CID 75274412) is 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one is CC(O)C1=CC(=O)CC1O.
What is the InChIKey of 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one?
The InChIKey is ZUZLKFINQULJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4(8)6-2-5(9)3-7(6)10/h2,4,7-8,10H,3H2,1H3.
What are the key properties of 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one?
4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 75274412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).