cyclopenta[b]pyran-2,3-dione

C8H4O3 — CID 70383337

IUPACcyclopenta[b]pyran-2,3-dione
SMILESO=C1C=C2C=CC=C2OC1=O
InChIInChI=1S/C8H4O3/c9-6-4-5-2-1-3-7(5)11-8(6)10/h1-4H
InChIKeyCGFCQGODEOUVFT-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.49
Rot. Bonds

About cyclopenta[b]pyran-2,3-dione

cyclopenta[b]pyran-2,3-dione (PubChem CID 70383337) has the molecular formula C8H4O3 and a molecular weight of 148.12 g/mol. Its IUPAC name is cyclopenta[b]pyran-2,3-dione.

Molecular Properties

Compound Namecyclopenta[b]pyran-2,3-dione
PubChem CID70383337
Molecular FormulaC8H4O3
Molecular Weight148.12 g/mol
Exact Mass148.02
IUPAC Namecyclopenta[b]pyran-2,3-dione
SMILESO=C1C=C2C=CC=C2OC1=O
InChIInChI=1S/C8H4O3/c9-6-4-5-2-1-3-7(5)11-8(6)10/h1-4H
InChIKeyCGFCQGODEOUVFT-UHFFFAOYSA-N
XLogP0.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta[b]pyran-2,3-dione?
The IUPAC name of cyclopenta[b]pyran-2,3-dione (CID 70383337) is cyclopenta[b]pyran-2,3-dione.
What is the SMILES notation for cyclopenta[b]pyran-2,3-dione?
The canonical SMILES for cyclopenta[b]pyran-2,3-dione is O=C1C=C2C=CC=C2OC1=O.
What is the InChIKey of cyclopenta[b]pyran-2,3-dione?
The InChIKey is CGFCQGODEOUVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O3/c9-6-4-5-2-1-3-7(5)11-8(6)10/h1-4H.
What are the key properties of cyclopenta[b]pyran-2,3-dione?
cyclopenta[b]pyran-2,3-dione has a molecular weight of 148.12 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]pyran-2,3-dione is sourced from PubChem (CID 70383337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).