5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C14H16FNO2 — CID 67461439

IUPAC5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CCC2CC(O)CC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H16FNO2/c15-10-3-1-9(2-4-10)13-8-12(17)7-11-5-6-14(18)16(11)13/h1-4,11-13,17H,5-8H2
InChIKeyZSZLEFCGVQPBOQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.01
Rot. Bonds1

About 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 67461439) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID67461439
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CCC2CC(O)CC(c3ccc(F)cc3)N12
InChIInChI=1S/C14H16FNO2/c15-10-3-1-9(2-4-10)13-8-12(17)7-11-5-6-14(18)16(11)13/h1-4,11-13,17H,5-8H2
InChIKeyZSZLEFCGVQPBOQ-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 67461439) is 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CCC2CC(O)CC(c3ccc(F)cc3)N12.
What is the InChIKey of 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is ZSZLEFCGVQPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-10-3-1-9(2-4-10)13-8-12(17)7-11-5-6-14(18)16(11)13/h1-4,11-13,17H,5-8H2.
What are the key properties of 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 249.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 67461439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).