(5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one

C7H8O3 — CID 143091862

IUPAC(5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one
SMILESCC(=O)[C@]1(O)CC=CC1=O
InChIInChI=1S/C7H8O3/c1-5(8)7(10)4-2-3-6(7)9/h2-3,10H,4H2,1H3/t7-/m1/s1
InChIKeyVVTJWMOKSFYRNL-SSDOTTSWSA-N
MW140.14 g/mol
LogP-0.16
Rot. Bonds1

About (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one

(5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one (PubChem CID 143091862) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one
PubChem CID143091862
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one
SMILESCC(=O)[C@]1(O)CC=CC1=O
InChIInChI=1S/C7H8O3/c1-5(8)7(10)4-2-3-6(7)9/h2-3,10H,4H2,1H3/t7-/m1/s1
InChIKeyVVTJWMOKSFYRNL-SSDOTTSWSA-N
XLogP-0.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one?
The IUPAC name of (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one (CID 143091862) is (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one?
The canonical SMILES for (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one is CC(=O)[C@]1(O)CC=CC1=O.
What is the InChIKey of (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one?
The InChIKey is VVTJWMOKSFYRNL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(8)7(10)4-2-3-6(7)9/h2-3,10H,4H2,1H3/t7-/m1/s1.
What are the key properties of (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one?
(5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one has a molecular weight of 140.14 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-acetyl-5-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 143091862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).