1-(4-hydroxycyclopent-2-en-1-yl)ethanone

C7H10O2 — CID 15761041

IUPAC1-(4-hydroxycyclopent-2-en-1-yl)ethanone
SMILESCC(=O)C1C=CC(O)C1
InChIInChI=1S/C7H10O2/c1-5(8)6-2-3-7(9)4-6/h2-3,6-7,9H,4H2,1H3
InChIKeyWNHGOUXJFNBYAN-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds1

About 1-(4-hydroxycyclopent-2-en-1-yl)ethanone

1-(4-hydroxycyclopent-2-en-1-yl)ethanone (PubChem CID 15761041) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(4-hydroxycyclopent-2-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxycyclopent-2-en-1-yl)ethanone
PubChem CID15761041
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(4-hydroxycyclopent-2-en-1-yl)ethanone
SMILESCC(=O)C1C=CC(O)C1
InChIInChI=1S/C7H10O2/c1-5(8)6-2-3-7(9)4-6/h2-3,6-7,9H,4H2,1H3
InChIKeyWNHGOUXJFNBYAN-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclopent-2-en-1-yl)ethanone?
The IUPAC name of 1-(4-hydroxycyclopent-2-en-1-yl)ethanone (CID 15761041) is 1-(4-hydroxycyclopent-2-en-1-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxycyclopent-2-en-1-yl)ethanone?
The canonical SMILES for 1-(4-hydroxycyclopent-2-en-1-yl)ethanone is CC(=O)C1C=CC(O)C1.
What is the InChIKey of 1-(4-hydroxycyclopent-2-en-1-yl)ethanone?
The InChIKey is WNHGOUXJFNBYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5(8)6-2-3-7(9)4-6/h2-3,6-7,9H,4H2,1H3.
What are the key properties of 1-(4-hydroxycyclopent-2-en-1-yl)ethanone?
1-(4-hydroxycyclopent-2-en-1-yl)ethanone has a molecular weight of 126.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclopent-2-en-1-yl)ethanone is sourced from PubChem (CID 15761041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).