5H-cyclopenta[b]pyran-2,4-dione

C8H6O3 — CID 171776021

IUPAC5H-cyclopenta[b]pyran-2,4-dione
SMILESO=C1CC(=O)C2=C(C=CC2)O1
InChIInChI=1S/C8H6O3/c9-6-4-8(10)11-7-3-1-2-5(6)7/h1,3H,2,4H2
InChIKeyIDJFKEHRXLWPSP-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.72
Rot. Bonds

About 5H-cyclopenta[b]pyran-2,4-dione

5H-cyclopenta[b]pyran-2,4-dione (PubChem CID 171776021) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 5H-cyclopenta[b]pyran-2,4-dione.

Molecular Properties

Compound Name5H-cyclopenta[b]pyran-2,4-dione
PubChem CID171776021
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name5H-cyclopenta[b]pyran-2,4-dione
SMILESO=C1CC(=O)C2=C(C=CC2)O1
InChIInChI=1S/C8H6O3/c9-6-4-8(10)11-7-3-1-2-5(6)7/h1,3H,2,4H2
InChIKeyIDJFKEHRXLWPSP-UHFFFAOYSA-N
XLogP0.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.72
H-Bond Donors ≤ 50
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 5H-cyclopenta[b]pyran-2,4-dione?
The IUPAC name of 5H-cyclopenta[b]pyran-2,4-dione (CID 171776021) is 5H-cyclopenta[b]pyran-2,4-dione.
What is the SMILES notation for 5H-cyclopenta[b]pyran-2,4-dione?
The canonical SMILES for 5H-cyclopenta[b]pyran-2,4-dione is O=C1CC(=O)C2=C(C=CC2)O1.
What is the InChIKey of 5H-cyclopenta[b]pyran-2,4-dione?
The InChIKey is IDJFKEHRXLWPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c9-6-4-8(10)11-7-3-1-2-5(6)7/h1,3H,2,4H2.
What are the key properties of 5H-cyclopenta[b]pyran-2,4-dione?
5H-cyclopenta[b]pyran-2,4-dione has a molecular weight of 150.13 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclopenta[b]pyran-2,4-dione is sourced from PubChem (CID 171776021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).