5-benzoylindolizine-7-carboxylic acid

C16H11NO3 — CID 171758340

IUPAC5-benzoylindolizine-7-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C16H11NO3/c18-15(11-5-2-1-3-6-11)14-10-12(16(19)20)9-13-7-4-8-17(13)14/h1-10H,(H,19,20)
InChIKeyTYSHNBCKAWHDGQ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.87
Rot. Bonds3

About 5-benzoylindolizine-7-carboxylic acid

5-benzoylindolizine-7-carboxylic acid (PubChem CID 171758340) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-benzoylindolizine-7-carboxylic acid.

Molecular Properties

Compound Name5-benzoylindolizine-7-carboxylic acid
PubChem CID171758340
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name5-benzoylindolizine-7-carboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C16H11NO3/c18-15(11-5-2-1-3-6-11)14-10-12(16(19)20)9-13-7-4-8-17(13)14/h1-10H,(H,19,20)
InChIKeyTYSHNBCKAWHDGQ-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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Related Compounds

1-(5-benzoylindolizin-7-yl)-3-methylidene-5-(propylamino)pentan-1-one
CID 174165627
3-benzoylindolizine-1-carboxylic acid
CID 71356515
N-[2-[2-(5-benzoylindolizin-7-yl)ethylamino]ethyl]formamide
CID 174165657
ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
CID 165114067
2-[5-(4-fluorobenzoyl)indolizin-7-yl]acetic acid
CID 174164867
ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate
CID 165114047
[7-(2-methylideneoctyl)indolizin-5-yl]-phenylmethanone
CID 174165654
4-(imidazo[1,2-a]pyridine-3-carbonyl)benzoic acid
CID 67003128
(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
methyl 5-(furan-2-carbonyl)indolizine-7-carboxylate
CID 165114034
3-benzoyl-7-methylindolizine-1-carboxylic acid
CID 118724660
3-(2-methylindolizin-3-yl)benzoic acid
CID 116993636

Frequently Asked Questions

What is the IUPAC name of 5-benzoylindolizine-7-carboxylic acid?
The IUPAC name of 5-benzoylindolizine-7-carboxylic acid (CID 171758340) is 5-benzoylindolizine-7-carboxylic acid.
What is the SMILES notation for 5-benzoylindolizine-7-carboxylic acid?
The canonical SMILES for 5-benzoylindolizine-7-carboxylic acid is O=C(O)c1cc(C(=O)c2ccccc2)n2cccc2c1.
What is the InChIKey of 5-benzoylindolizine-7-carboxylic acid?
The InChIKey is TYSHNBCKAWHDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15(11-5-2-1-3-6-11)14-10-12(16(19)20)9-13-7-4-8-17(13)14/h1-10H,(H,19,20).
What are the key properties of 5-benzoylindolizine-7-carboxylic acid?
5-benzoylindolizine-7-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 5-benzoylindolizine-7-carboxylic acid is sourced from PubChem (CID 171758340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).