cyclopenta[b]pyridine-5,7-dione

C8H5NO2 — CID 20617921

IUPACcyclopenta[b]pyridine-5,7-dione
SMILESO=C1CC(=O)c2ncccc21
InChIInChI=1S/C8H5NO2/c10-6-4-7(11)8-5(6)2-1-3-9-8/h1-3H,4H2
InChIKeyUNPGUYKQLOVEHD-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.85
Rot. Bonds

About cyclopenta[b]pyridine-5,7-dione

cyclopenta[b]pyridine-5,7-dione (PubChem CID 20617921) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is cyclopenta[b]pyridine-5,7-dione.

Molecular Properties

Compound Namecyclopenta[b]pyridine-5,7-dione
PubChem CID20617921
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Namecyclopenta[b]pyridine-5,7-dione
SMILESO=C1CC(=O)c2ncccc21
InChIInChI=1S/C8H5NO2/c10-6-4-7(11)8-5(6)2-1-3-9-8/h1-3H,4H2
InChIKeyUNPGUYKQLOVEHD-UHFFFAOYSA-N
XLogP0.85
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.85
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 cyclopenta[b]pyridine-5,7-dione?
The IUPAC name of cyclopenta[b]pyridine-5,7-dione (CID 20617921) is cyclopenta[b]pyridine-5,7-dione.
What is the SMILES notation for cyclopenta[b]pyridine-5,7-dione?
The canonical SMILES for cyclopenta[b]pyridine-5,7-dione is O=C1CC(=O)c2ncccc21.
What is the InChIKey of cyclopenta[b]pyridine-5,7-dione?
The InChIKey is UNPGUYKQLOVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-6-4-7(11)8-5(6)2-1-3-9-8/h1-3H,4H2.
What are the key properties of cyclopenta[b]pyridine-5,7-dione?
cyclopenta[b]pyridine-5,7-dione has a molecular weight of 147.13 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[b]pyridine-5,7-dione is sourced from PubChem (CID 20617921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).