4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid

C13H11NO3 — CID 166731468

IUPAC4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid
SMILESO=C1CCCc2c1c1ccccc1n2C(=O)O
InChIInChI=1S/C13H11NO3/c15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)14(10)13(16)17/h1-2,4-5H,3,6-7H2,(H,16,17)
InChIKeyHSNIBLRSVBAKLE-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.69
Rot. Bonds

About 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid

4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid (PubChem CID 166731468) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid
PubChem CID166731468
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid
SMILESO=C1CCCc2c1c1ccccc1n2C(=O)O
InChIInChI=1S/C13H11NO3/c15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)14(10)13(16)17/h1-2,4-5H,3,6-7H2,(H,16,17)
InChIKeyHSNIBLRSVBAKLE-UHFFFAOYSA-N
XLogP2.69
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid?
The IUPAC name of 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid (CID 166731468) is 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid.
What is the SMILES notation for 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid?
The canonical SMILES for 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid is O=C1CCCc2c1c1ccccc1n2C(=O)O.
What is the InChIKey of 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid?
The InChIKey is HSNIBLRSVBAKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-7-3-6-10-12(11)8-4-1-2-5-9(8)14(10)13(16)17/h1-2,4-5H,3,6-7H2,(H,16,17).
What are the key properties of 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid?
4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydro-1H-carbazole-9-carboxylic acid is sourced from PubChem (CID 166731468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).