7aH-cyclopenta[b]pyran-2-one

C8H6O2 — CID 156612493

IUPAC7aH-cyclopenta[b]pyran-2-one
SMILESO=C1C=CC2=CC=CC2O1
InChIInChI=1S/C8H6O2/c9-8-5-4-6-2-1-3-7(6)10-8/h1-5,7H
InChIKeyIEVKNYCTBATUFV-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.96
Rot. Bonds

About 7aH-cyclopenta[b]pyran-2-one

7aH-cyclopenta[b]pyran-2-one (PubChem CID 156612493) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 7aH-cyclopenta[b]pyran-2-one.

Molecular Properties

Compound Name7aH-cyclopenta[b]pyran-2-one
PubChem CID156612493
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name7aH-cyclopenta[b]pyran-2-one
SMILESO=C1C=CC2=CC=CC2O1
InChIInChI=1S/C8H6O2/c9-8-5-4-6-2-1-3-7(6)10-8/h1-5,7H
InChIKeyIEVKNYCTBATUFV-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-2-one?
The IUPAC name of 7aH-cyclopenta[b]pyran-2-one (CID 156612493) is 7aH-cyclopenta[b]pyran-2-one.
What is the SMILES notation for 7aH-cyclopenta[b]pyran-2-one?
The canonical SMILES for 7aH-cyclopenta[b]pyran-2-one is O=C1C=CC2=CC=CC2O1.
What is the InChIKey of 7aH-cyclopenta[b]pyran-2-one?
The InChIKey is IEVKNYCTBATUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c9-8-5-4-6-2-1-3-7(6)10-8/h1-5,7H.
What are the key properties of 7aH-cyclopenta[b]pyran-2-one?
7aH-cyclopenta[b]pyran-2-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-2-one is sourced from PubChem (CID 156612493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).