1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid

C15H16FNO3 — CID 69404921

IUPAC1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid
SMILESO=C(O)C1CC(=O)N2CCC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C15H16FNO3/c16-11-3-1-9(2-4-11)12-5-6-17-13(12)7-10(15(19)20)8-14(17)18/h1-4,10,12-13H,5-8H2,(H,19,20)
InChIKeyZMUFCDOQHFKKTP-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid

1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid (PubChem CID 69404921) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid
PubChem CID69404921
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid
SMILESO=C(O)C1CC(=O)N2CCC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C15H16FNO3/c16-11-3-1-9(2-4-11)12-5-6-17-13(12)7-10(15(19)20)8-14(17)18/h1-4,10,12-13H,5-8H2,(H,19,20)
InChIKeyZMUFCDOQHFKKTP-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid (CID 69404921) is 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid is O=C(O)C1CC(=O)N2CCC(c3ccc(F)cc3)C2C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid?
The InChIKey is ZMUFCDOQHFKKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c16-11-3-1-9(2-4-11)12-5-6-17-13(12)7-10(15(19)20)8-14(17)18/h1-4,10,12-13H,5-8H2,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid?
1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid has a molecular weight of 277.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-7-carboxylic acid is sourced from PubChem (CID 69404921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).