1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one

C15H16FNO3 — CID 18372283

IUPAC1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one
SMILESO=C1CCC2C(O)CCC2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c16-10-3-1-9(2-4-10)15(20)17-12-6-7-13(18)11(12)5-8-14(17)19/h1-4,11-13,18H,5-8H2
InChIKeyBISIEPRDOGPPEE-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.73
Rot. Bonds1

About 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one

1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one (PubChem CID 18372283) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one
PubChem CID18372283
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one
SMILESO=C1CCC2C(O)CCC2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c16-10-3-1-9(2-4-10)15(20)17-12-6-7-13(18)11(12)5-8-14(17)19/h1-4,11-13,18H,5-8H2
InChIKeyBISIEPRDOGPPEE-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one (CID 18372283) is 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one is O=C1CCC2C(O)CCC2N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one?
The InChIKey is BISIEPRDOGPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-10-3-1-9(2-4-10)15(20)17-12-6-7-13(18)11(12)5-8-14(17)19/h1-4,11-13,18H,5-8H2.
What are the key properties of 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one?
1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one has a molecular weight of 277.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-5-hydroxy-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 18372283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).