3-benzoylindolizine-1-carboxylic acid

C16H11NO3 — CID 71356515

IUPAC3-benzoylindolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C16H11NO3/c18-15(11-6-2-1-3-7-11)14-10-12(16(19)20)13-8-4-5-9-17(13)14/h1-10H,(H,19,20)
InChIKeyGWZQCYQFUWYDIG-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.87
Rot. Bonds3

About 3-benzoylindolizine-1-carboxylic acid

3-benzoylindolizine-1-carboxylic acid (PubChem CID 71356515) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-benzoylindolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-benzoylindolizine-1-carboxylic acid
PubChem CID71356515
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-benzoylindolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C16H11NO3/c18-15(11-6-2-1-3-7-11)14-10-12(16(19)20)13-8-4-5-9-17(13)14/h1-10H,(H,19,20)
InChIKeyGWZQCYQFUWYDIG-UHFFFAOYSA-N
XLogP2.87
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzoylindolizine-1-carboxylic acid?
The IUPAC name of 3-benzoylindolizine-1-carboxylic acid (CID 71356515) is 3-benzoylindolizine-1-carboxylic acid.
What is the SMILES notation for 3-benzoylindolizine-1-carboxylic acid?
The canonical SMILES for 3-benzoylindolizine-1-carboxylic acid is O=C(O)c1cc(C(=O)c2ccccc2)n2ccccc12.
What is the InChIKey of 3-benzoylindolizine-1-carboxylic acid?
The InChIKey is GWZQCYQFUWYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15(11-6-2-1-3-7-11)14-10-12(16(19)20)13-8-4-5-9-17(13)14/h1-10H,(H,19,20).
What are the key properties of 3-benzoylindolizine-1-carboxylic acid?
3-benzoylindolizine-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoylindolizine-1-carboxylic acid is sourced from PubChem (CID 71356515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).