4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one

C17H18FNO — CID 15020583

IUPAC4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
SMILESO=c1cc(-c2ccccc2F)c2c([nH]1)CCCCCC2
InChIInChI=1S/C17H18FNO/c18-15-9-6-5-7-12(15)14-11-17(20)19-16-10-4-2-1-3-8-13(14)16/h5-7,9,11H,1-4,8,10H2,(H,19,20)
InChIKeyKMDZBAODQKTJKQ-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.84
Rot. Bonds1

About 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one

4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one (PubChem CID 15020583) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
PubChem CID15020583
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
SMILESO=c1cc(-c2ccccc2F)c2c([nH]1)CCCCCC2
InChIInChI=1S/C17H18FNO/c18-15-9-6-5-7-12(15)14-11-17(20)19-16-10-4-2-1-3-8-13(14)16/h5-7,9,11H,1-4,8,10H2,(H,19,20)
InChIKeyKMDZBAODQKTJKQ-UHFFFAOYSA-N
XLogP3.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one (CID 15020583) is 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one is O=c1cc(-c2ccccc2F)c2c([nH]1)CCCCCC2.
What is the InChIKey of 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
The InChIKey is KMDZBAODQKTJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-9-6-5-7-12(15)14-11-17(20)19-16-10-4-2-1-3-8-13(14)16/h5-7,9,11H,1-4,8,10H2,(H,19,20).
What are the key properties of 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one?
4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one has a molecular weight of 271.33 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one is sourced from PubChem (CID 15020583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).