1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

C8H9NO — CID 14732817

IUPAC1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESO=c1cc[nH]c2c1CCC2
InChIInChI=1S/C8H9NO/c10-8-4-5-9-7-3-1-2-6(7)8/h4-5H,1-3H2,(H,9,10)
InChIKeyUTXPJLWOBZZOAL-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.86
Rot. Bonds

About 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (PubChem CID 14732817) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
PubChem CID14732817
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
SMILESO=c1cc[nH]c2c1CCC2
InChIInChI=1S/C8H9NO/c10-8-4-5-9-7-3-1-2-6(7)8/h4-5H,1-3H2,(H,9,10)
InChIKeyUTXPJLWOBZZOAL-UHFFFAOYSA-N
XLogP0.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The IUPAC name of 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one (CID 14732817) is 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one.
What is the SMILES notation for 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The canonical SMILES for 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is O=c1cc[nH]c2c1CCC2.
What is the InChIKey of 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
The InChIKey is UTXPJLWOBZZOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-4-5-9-7-3-1-2-6(7)8/h4-5H,1-3H2,(H,9,10).
What are the key properties of 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one?
1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one has a molecular weight of 135.17 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one is sourced from PubChem (CID 14732817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).