5-benzoyl-6-methylindolizine-7-carboxylic acid

C17H13NO3 — CID 127039281

IUPAC5-benzoyl-6-methylindolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cccn2c1C(=O)c1ccccc1
InChIInChI=1S/C17H13NO3/c1-11-14(17(20)21)10-13-8-5-9-18(13)15(11)16(19)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,21)
InChIKeyANXFIKLVBBYWAF-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.18
Rot. Bonds3

About 5-benzoyl-6-methylindolizine-7-carboxylic acid

5-benzoyl-6-methylindolizine-7-carboxylic acid (PubChem CID 127039281) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-benzoyl-6-methylindolizine-7-carboxylic acid.

Molecular Properties

Compound Name5-benzoyl-6-methylindolizine-7-carboxylic acid
PubChem CID127039281
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-benzoyl-6-methylindolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cccn2c1C(=O)c1ccccc1
InChIInChI=1S/C17H13NO3/c1-11-14(17(20)21)10-13-8-5-9-18(13)15(11)16(19)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,21)
InChIKeyANXFIKLVBBYWAF-UHFFFAOYSA-N
XLogP3.18
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-methylindolizine-7-carboxylic acid?
The IUPAC name of 5-benzoyl-6-methylindolizine-7-carboxylic acid (CID 127039281) is 5-benzoyl-6-methylindolizine-7-carboxylic acid.
What is the SMILES notation for 5-benzoyl-6-methylindolizine-7-carboxylic acid?
The canonical SMILES for 5-benzoyl-6-methylindolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cccn2c1C(=O)c1ccccc1.
What is the InChIKey of 5-benzoyl-6-methylindolizine-7-carboxylic acid?
The InChIKey is ANXFIKLVBBYWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-14(17(20)21)10-13-8-5-9-18(13)15(11)16(19)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,21).
What are the key properties of 5-benzoyl-6-methylindolizine-7-carboxylic acid?
5-benzoyl-6-methylindolizine-7-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-methylindolizine-7-carboxylic acid is sourced from PubChem (CID 127039281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).