1,5-dihydrocyclopenta[b]pyridine-2,4-dione

C8H7NO2 — CID 58191074

IUPAC1,5-dihydrocyclopenta[b]pyridine-2,4-dione
SMILESO=C1CC(=O)C2=C(C=CC2)N1
InChIInChI=1S/C8H7NO2/c10-7-4-8(11)9-6-3-1-2-5(6)7/h1,3H,2,4H2,(H,9,11)
InChIKeyKOXSNARPVFYLTE-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.29
Rot. Bonds

About 1,5-dihydrocyclopenta[b]pyridine-2,4-dione

1,5-dihydrocyclopenta[b]pyridine-2,4-dione (PubChem CID 58191074) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 1,5-dihydrocyclopenta[b]pyridine-2,4-dione.

Molecular Properties

Compound Name1,5-dihydrocyclopenta[b]pyridine-2,4-dione
PubChem CID58191074
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name1,5-dihydrocyclopenta[b]pyridine-2,4-dione
SMILESO=C1CC(=O)C2=C(C=CC2)N1
InChIInChI=1S/C8H7NO2/c10-7-4-8(11)9-6-3-1-2-5(6)7/h1,3H,2,4H2,(H,9,11)
InChIKeyKOXSNARPVFYLTE-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,5-dihydrocyclopenta[b]pyridine-2,4-dione?
The IUPAC name of 1,5-dihydrocyclopenta[b]pyridine-2,4-dione (CID 58191074) is 1,5-dihydrocyclopenta[b]pyridine-2,4-dione.
What is the SMILES notation for 1,5-dihydrocyclopenta[b]pyridine-2,4-dione?
The canonical SMILES for 1,5-dihydrocyclopenta[b]pyridine-2,4-dione is O=C1CC(=O)C2=C(C=CC2)N1.
What is the InChIKey of 1,5-dihydrocyclopenta[b]pyridine-2,4-dione?
The InChIKey is KOXSNARPVFYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-7-4-8(11)9-6-3-1-2-5(6)7/h1,3H,2,4H2,(H,9,11).
What are the key properties of 1,5-dihydrocyclopenta[b]pyridine-2,4-dione?
1,5-dihydrocyclopenta[b]pyridine-2,4-dione has a molecular weight of 149.15 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydrocyclopenta[b]pyridine-2,4-dione is sourced from PubChem (CID 58191074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).