7aH-cyclopenta[b]pyran-4-one

C8H6O2 — CID 123813464

IUPAC7aH-cyclopenta[b]pyran-4-one
SMILESO=C1C=COC2C=CC=C12
InChIInChI=1S/C8H6O2/c9-7-4-5-10-8-3-1-2-6(7)8/h1-5,8H
InChIKeyMZSPIAJSQMZQJS-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.96
Rot. Bonds

About 7aH-cyclopenta[b]pyran-4-one

7aH-cyclopenta[b]pyran-4-one (PubChem CID 123813464) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 7aH-cyclopenta[b]pyran-4-one.

Molecular Properties

Compound Name7aH-cyclopenta[b]pyran-4-one
PubChem CID123813464
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name7aH-cyclopenta[b]pyran-4-one
SMILESO=C1C=COC2C=CC=C12
InChIInChI=1S/C8H6O2/c9-7-4-5-10-8-3-1-2-6(7)8/h1-5,8H
InChIKeyMZSPIAJSQMZQJS-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7aH-cyclopenta[b]pyran-4-one?
The IUPAC name of 7aH-cyclopenta[b]pyran-4-one (CID 123813464) is 7aH-cyclopenta[b]pyran-4-one.
What is the SMILES notation for 7aH-cyclopenta[b]pyran-4-one?
The canonical SMILES for 7aH-cyclopenta[b]pyran-4-one is O=C1C=COC2C=CC=C12.
What is the InChIKey of 7aH-cyclopenta[b]pyran-4-one?
The InChIKey is MZSPIAJSQMZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c9-7-4-5-10-8-3-1-2-6(7)8/h1-5,8H.
What are the key properties of 7aH-cyclopenta[b]pyran-4-one?
7aH-cyclopenta[b]pyran-4-one has a molecular weight of 134.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7aH-cyclopenta[b]pyran-4-one is sourced from PubChem (CID 123813464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).