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

C15H13NO4 — CID 54691178

IUPAC7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C15H13NO4/c17-13-11(9-5-2-1-3-6-9)14(18)16-8-4-7-10(16)12(13)15(19)20/h1-3,5-6,17H,4,7-8H2,(H,19,20)
InChIKeyMSGXEGOMTZJSGB-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.87
Rot. Bonds2

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

7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid (PubChem CID 54691178) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid
PubChem CID54691178
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C15H13NO4/c17-13-11(9-5-2-1-3-6-9)14(18)16-8-4-7-10(16)12(13)15(19)20/h1-3,5-6,17H,4,7-8H2,(H,19,20)
InChIKeyMSGXEGOMTZJSGB-UHFFFAOYSA-N
XLogP1.87
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The IUPAC name of 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid (CID 54691178) is 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid.
What is the SMILES notation for 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The canonical SMILES for 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid is O=C(O)c1c(O)c(-c2ccccc2)c(=O)n2c1CCC2.
What is the InChIKey of 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid?
The InChIKey is MSGXEGOMTZJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-13-11(9-5-2-1-3-6-9)14(18)16-8-4-7-10(16)12(13)15(19)20/h1-3,5-6,17H,4,7-8H2,(H,19,20).
What are the key properties of 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid?
7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid is sourced from PubChem (CID 54691178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).