2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one

C10H10O3 — CID 19430045

IUPAC2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one
SMILESO=C1CCC=C1OC1=CC=CCO1
InChIInChI=1S/C10H10O3/c11-8-4-3-5-9(8)13-10-6-1-2-7-12-10/h1-2,5-6H,3-4,7H2
InChIKeyIHOLENNHYKJNEA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.68
Rot. Bonds2

About 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one

2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one (PubChem CID 19430045) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one
PubChem CID19430045
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one
SMILESO=C1CCC=C1OC1=CC=CCO1
InChIInChI=1S/C10H10O3/c11-8-4-3-5-9(8)13-10-6-1-2-7-12-10/h1-2,5-6H,3-4,7H2
InChIKeyIHOLENNHYKJNEA-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one?
The IUPAC name of 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one (CID 19430045) is 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one?
The canonical SMILES for 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one is O=C1CCC=C1OC1=CC=CCO1.
What is the InChIKey of 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one?
The InChIKey is IHOLENNHYKJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-4-3-5-9(8)13-10-6-1-2-7-12-10/h1-2,5-6H,3-4,7H2.
What are the key properties of 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one?
2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one has a molecular weight of 178.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyran-6-yloxy)cyclopent-2-en-1-one is sourced from PubChem (CID 19430045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).