9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid

C20H17NO3 — CID 44564826

IUPAC9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid
SMILESO=C1CCCc2c1c1cccc(C(=O)O)c1n2Cc1ccccc1
InChIInChI=1S/C20H17NO3/c22-17-11-5-10-16-18(17)14-8-4-9-15(20(23)24)19(14)21(16)12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,23,24)
InChIKeyHRCWJPIZBPOIPY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.91
Rot. Bonds3

About 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid

9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid (PubChem CID 44564826) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid
PubChem CID44564826
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid
SMILESO=C1CCCc2c1c1cccc(C(=O)O)c1n2Cc1ccccc1
InChIInChI=1S/C20H17NO3/c22-17-11-5-10-16-18(17)14-8-4-9-15(20(23)24)19(14)21(16)12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,23,24)
InChIKeyHRCWJPIZBPOIPY-UHFFFAOYSA-N
XLogP3.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid?
The IUPAC name of 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid (CID 44564826) is 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid.
What is the SMILES notation for 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid?
The canonical SMILES for 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid is O=C1CCCc2c1c1cccc(C(=O)O)c1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid?
The InChIKey is HRCWJPIZBPOIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-17-11-5-10-16-18(17)14-8-4-9-15(20(23)24)19(14)21(16)12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,23,24).
What are the key properties of 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid?
9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid is sourced from PubChem (CID 44564826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).