7,8-dihydrocycloocta[b]pyridin-9-one

C11H9NO — CID 123372598

IUPAC7,8-dihydrocycloocta[b]pyridin-9-one
SMILESO=C1C=c2ncccc2=C=CCC1
InChIInChI=1S/C11H9NO/c13-10-6-2-1-4-9-5-3-7-12-11(9)8-10/h1,3,5,7-8H,2,6H2
InChIKeyIILQSANHLHBGTI-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.16
Rot. Bonds

About 7,8-dihydrocycloocta[b]pyridin-9-one

7,8-dihydrocycloocta[b]pyridin-9-one (PubChem CID 123372598) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 7,8-dihydrocycloocta[b]pyridin-9-one.

Molecular Properties

Compound Name7,8-dihydrocycloocta[b]pyridin-9-one
PubChem CID123372598
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name7,8-dihydrocycloocta[b]pyridin-9-one
SMILESO=C1C=c2ncccc2=C=CCC1
InChIInChI=1S/C11H9NO/c13-10-6-2-1-4-9-5-3-7-12-11(9)8-10/h1,3,5,7-8H,2,6H2
InChIKeyIILQSANHLHBGTI-UHFFFAOYSA-N
XLogP0.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrocycloocta[b]pyridin-9-one?
The IUPAC name of 7,8-dihydrocycloocta[b]pyridin-9-one (CID 123372598) is 7,8-dihydrocycloocta[b]pyridin-9-one.
What is the SMILES notation for 7,8-dihydrocycloocta[b]pyridin-9-one?
The canonical SMILES for 7,8-dihydrocycloocta[b]pyridin-9-one is O=C1C=c2ncccc2=C=CCC1.
What is the InChIKey of 7,8-dihydrocycloocta[b]pyridin-9-one?
The InChIKey is IILQSANHLHBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-10-6-2-1-4-9-5-3-7-12-11(9)8-10/h1,3,5,7-8H,2,6H2.
What are the key properties of 7,8-dihydrocycloocta[b]pyridin-9-one?
7,8-dihydrocycloocta[b]pyridin-9-one has a molecular weight of 171.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrocycloocta[b]pyridin-9-one is sourced from PubChem (CID 123372598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).