6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

C16H15NO4 — CID 54691179

IUPAC6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1c(O)c(Cc2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C16H15NO4/c18-14-11(9-10-5-2-1-3-6-10)15(19)17-8-4-7-12(17)13(14)16(20)21/h1-3,5-6,18H,4,7-9H2,(H,20,21)
InChIKeyJTUKRGGMTLYMEC-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.79
Rot. Bonds3

About 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid

6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (PubChem CID 54691179) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
PubChem CID54691179
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1c(O)c(Cc2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C16H15NO4/c18-14-11(9-10-5-2-1-3-6-10)15(19)17-8-4-7-12(17)13(14)16(20)21/h1-3,5-6,18H,4,7-9H2,(H,20,21)
InChIKeyJTUKRGGMTLYMEC-UHFFFAOYSA-N
XLogP1.79
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
7-Hydroxy-6-benzyl-1,2,3-trihydroindolizin-5-one
CID 54687028
6-(2-Fluorophenyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 66844827
6-(2-Fluorophenyl)-3-methyl-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 66844924
6-(3-fluorophenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
CID 66844995
6-[5-fluoro-2-(trifluoromethyl)phenyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
CID 69162189
6-Butyl-7-hydroxy-8-phenyl-1,2,3-trihydroindolizin-5-one
CID 54691168
7-Hydroxy-2,2-dimethyl-6-phenyl-1,3-dihydroindolizin-5-one
CID 54691169
6-Benzyl-7-hydroxy-2,2-dimethyl-1,3-dihydroindolizin-5-one
CID 54691170
7-Hydroxy-6-benzyl-8-phenyl-1,2,3-trihydroindolizin-5-one
CID 54691171
7-Hydroxy-6-phenyl-1,2,3-trihydroindolizin-5-one
CID 54691173
Ethyl 7-hydroxy-5-oxo-6-phenyl-1,2,3-trihydroindolizine-8-carboxylate
CID 54691175

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The IUPAC name of 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid (CID 54691179) is 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid.
What is the SMILES notation for 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The canonical SMILES for 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is O=C(O)c1c(O)c(Cc2ccccc2)c(=O)n2c1CCC2.
What is the InChIKey of 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The InChIKey is JTUKRGGMTLYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14-11(9-10-5-2-1-3-6-10)15(19)17-8-4-7-12(17)13(14)16(20)21/h1-3,5-6,18H,4,7-9H2,(H,20,21).
What are the key properties of 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid?
6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid is sourced from PubChem (CID 54691179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).