5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one

C11H15NO — CID 24808502

IUPAC5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
SMILESO=c1ccc2c([nH]1)CCCCCC2
InChIInChI=1S/C11H15NO/c13-11-8-7-9-5-3-1-2-4-6-10(9)12-11/h7-8H,1-6H2,(H,12,13)
InChIKeyUJBZOXAFZHLFJP-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.03
Rot. Bonds

About 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one

5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one (PubChem CID 24808502) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one.

Molecular Properties

Compound Name5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
PubChem CID24808502
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
SMILESO=c1ccc2c([nH]1)CCCCCC2
InChIInChI=1S/C11H15NO/c13-11-8-7-9-5-3-1-2-4-6-10(9)12-11/h7-8H,1-6H2,(H,12,13)
InChIKeyUJBZOXAFZHLFJP-UHFFFAOYSA-N
XLogP2.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
The IUPAC name of 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one (CID 24808502) is 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one.
What is the SMILES notation for 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
The canonical SMILES for 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one is O=c1ccc2c([nH]1)CCCCCC2.
What is the InChIKey of 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
The InChIKey is UJBZOXAFZHLFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c13-11-8-7-9-5-3-1-2-4-6-10(9)12-11/h7-8H,1-6H2,(H,12,13).
What are the key properties of 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one is sourced from PubChem (CID 24808502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).