1H-cyclopenta[c]pyran-5,7-dione

C8H6O3 — CID 68799013

IUPAC1H-cyclopenta[c]pyran-5,7-dione
SMILESO=C1CC(=O)C2=C1C=COC2
InChIInChI=1S/C8H6O3/c9-7-3-8(10)6-4-11-2-1-5(6)7/h1-2H,3-4H2
InChIKeyBHVSMCNNRPYRGN-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.37
Rot. Bonds

About 1H-cyclopenta[c]pyran-5,7-dione

1H-cyclopenta[c]pyran-5,7-dione (PubChem CID 68799013) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 1H-cyclopenta[c]pyran-5,7-dione.

Molecular Properties

Compound Name1H-cyclopenta[c]pyran-5,7-dione
PubChem CID68799013
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name1H-cyclopenta[c]pyran-5,7-dione
SMILESO=C1CC(=O)C2=C1C=COC2
InChIInChI=1S/C8H6O3/c9-7-3-8(10)6-4-11-2-1-5(6)7/h1-2H,3-4H2
InChIKeyBHVSMCNNRPYRGN-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
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 1H-cyclopenta[c]pyran-5,7-dione?
The IUPAC name of 1H-cyclopenta[c]pyran-5,7-dione (CID 68799013) is 1H-cyclopenta[c]pyran-5,7-dione.
What is the SMILES notation for 1H-cyclopenta[c]pyran-5,7-dione?
The canonical SMILES for 1H-cyclopenta[c]pyran-5,7-dione is O=C1CC(=O)C2=C1C=COC2.
What is the InChIKey of 1H-cyclopenta[c]pyran-5,7-dione?
The InChIKey is BHVSMCNNRPYRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c9-7-3-8(10)6-4-11-2-1-5(6)7/h1-2H,3-4H2.
What are the key properties of 1H-cyclopenta[c]pyran-5,7-dione?
1H-cyclopenta[c]pyran-5,7-dione has a molecular weight of 150.13 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[c]pyran-5,7-dione is sourced from PubChem (CID 68799013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).