4,5-dihydroxy-3-propylcyclopent-2-en-1-one

C8H12O3 — CID 23902334

IUPAC4,5-dihydroxy-3-propylcyclopent-2-en-1-one
SMILESCCCC1=CC(=O)C(O)C1O
InChIInChI=1S/C8H12O3/c1-2-3-5-4-6(9)8(11)7(5)10/h4,7-8,10-11H,2-3H2,1H3
InChIKeyLFRFNLMDZHTVHB-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.02
Rot. Bonds2

About 4,5-dihydroxy-3-propylcyclopent-2-en-1-one

4,5-dihydroxy-3-propylcyclopent-2-en-1-one (PubChem CID 23902334) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4,5-dihydroxy-3-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4,5-dihydroxy-3-propylcyclopent-2-en-1-one
PubChem CID23902334
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4,5-dihydroxy-3-propylcyclopent-2-en-1-one
SMILESCCCC1=CC(=O)C(O)C1O
InChIInChI=1S/C8H12O3/c1-2-3-5-4-6(9)8(11)7(5)10/h4,7-8,10-11H,2-3H2,1H3
InChIKeyLFRFNLMDZHTVHB-UHFFFAOYSA-N
XLogP0.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.02
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
(4R,5S)-4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
CID 12443340
Terrein
CID 6436830
2-Cyclopenten-1-one, 4,5-dihydroxy-3-(1-propenyl)-
CID 5372499
Cinerolon
CID 5374041
(Z,S)-jasmololone
CID 12304693
Jasmolone
CID 5374699
Dihydroterrein
CID 11040921
Gabosine A
CID 10351943
4,5,6-Trihydroxy-2-methylcyclohex-2-en-1-one
CID 22298139
(Z,S)-cinerolone
CID 13074022
4,5-Dihydroxy-3-(4-hydroxybutyl)-2-penta-1,3-diynylcyclopent-2-en-1-one
CID 155525766

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-propylcyclopent-2-en-1-one?
The IUPAC name of 4,5-dihydroxy-3-propylcyclopent-2-en-1-one (CID 23902334) is 4,5-dihydroxy-3-propylcyclopent-2-en-1-one.
What is the SMILES notation for 4,5-dihydroxy-3-propylcyclopent-2-en-1-one?
The canonical SMILES for 4,5-dihydroxy-3-propylcyclopent-2-en-1-one is CCCC1=CC(=O)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-3-propylcyclopent-2-en-1-one?
The InChIKey is LFRFNLMDZHTVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-5-4-6(9)8(11)7(5)10/h4,7-8,10-11H,2-3H2,1H3.
What are the key properties of 4,5-dihydroxy-3-propylcyclopent-2-en-1-one?
4,5-dihydroxy-3-propylcyclopent-2-en-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3-propylcyclopent-2-en-1-one is sourced from PubChem (CID 23902334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).