3-benzoyl-7-methylindolizine-1-carboxylic acid

C17H13NO3 — CID 118724660

IUPAC3-benzoyl-7-methylindolizine-1-carboxylic acid
SMILESCc1ccn2c(C(=O)c3ccccc3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-18-14(9-11)13(17(20)21)10-15(18)16(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyNCOJHQWVEYIBFY-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.18
Rot. Bonds3

About 3-benzoyl-7-methylindolizine-1-carboxylic acid

3-benzoyl-7-methylindolizine-1-carboxylic acid (PubChem CID 118724660) has the molecular formula C17H13NO3 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-benzoyl-7-methylindolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-benzoyl-7-methylindolizine-1-carboxylic acid
PubChem CID118724660
Molecular FormulaC17H13NO3
Molecular Weight279.29 g/mol
Exact Mass279.09
IUPAC Name3-benzoyl-7-methylindolizine-1-carboxylic acid
SMILESCc1ccn2c(C(=O)c3ccccc3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-18-14(9-11)13(17(20)21)10-15(18)16(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)
InChIKeyNCOJHQWVEYIBFY-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 ≤ 500279.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzoyl-7-methylindolizin-3-yl)-phenylmethanone
CID 10664811
7-acetyl-3-benzoylindolizine-1-carboxylic acid
CID 170530657
3-benzoylindolizine-1-carboxylic acid
CID 71356515
3-chloro-7-methylindolizine-1-carboxylic acid
CID 174638129
[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
CID 3248899
methyl 7-methyl-3-(3-nitrobenzoyl)indolizine-1-carboxylate
CID 5048123
3-[4-(diethylamino)benzoyl]indolizine-1-carboxylic acid
CID 170530658
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-7-methylindolizine-1-carboxylic acid?
The IUPAC name of 3-benzoyl-7-methylindolizine-1-carboxylic acid (CID 118724660) is 3-benzoyl-7-methylindolizine-1-carboxylic acid.
What is the SMILES notation for 3-benzoyl-7-methylindolizine-1-carboxylic acid?
The canonical SMILES for 3-benzoyl-7-methylindolizine-1-carboxylic acid is Cc1ccn2c(C(=O)c3ccccc3)cc(C(=O)O)c2c1.
What is the InChIKey of 3-benzoyl-7-methylindolizine-1-carboxylic acid?
The InChIKey is NCOJHQWVEYIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-7-8-18-14(9-11)13(17(20)21)10-15(18)16(19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21).
What are the key properties of 3-benzoyl-7-methylindolizine-1-carboxylic acid?
3-benzoyl-7-methylindolizine-1-carboxylic acid has a molecular weight of 279.29 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 3-benzoyl-7-methylindolizine-1-carboxylic acid is sourced from PubChem (CID 118724660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).