9-methylcarbazole-3-carboxylic acid

C14H11NO2 — CID 614493

IUPAC9-methylcarbazole-3-carboxylic acid
SMILESCn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C14H11NO2/c1-15-12-5-3-2-4-10(12)11-8-9(14(16)17)6-7-13(11)15/h2-8H,1H3,(H,16,17)
InChIKeyHKCYYHQXRCUSRQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.03
Rot. Bonds1

About 9-methylcarbazole-3-carboxylic acid

9-methylcarbazole-3-carboxylic acid (PubChem CID 614493) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 9-methylcarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-methylcarbazole-3-carboxylic acid
PubChem CID614493
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name9-methylcarbazole-3-carboxylic acid
SMILESCn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C14H11NO2/c1-15-12-5-3-2-4-10(12)11-8-9(14(16)17)6-7-13(11)15/h2-8H,1H3,(H,16,17)
InChIKeyHKCYYHQXRCUSRQ-UHFFFAOYSA-N
XLogP3.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methylcarbazole-3-carboxylic acid?
The IUPAC name of 9-methylcarbazole-3-carboxylic acid (CID 614493) is 9-methylcarbazole-3-carboxylic acid.
What is the SMILES notation for 9-methylcarbazole-3-carboxylic acid?
The canonical SMILES for 9-methylcarbazole-3-carboxylic acid is Cn1c2ccccc2c2cc(C(=O)O)ccc21.
What is the InChIKey of 9-methylcarbazole-3-carboxylic acid?
The InChIKey is HKCYYHQXRCUSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-15-12-5-3-2-4-10(12)11-8-9(14(16)17)6-7-13(11)15/h2-8H,1H3,(H,16,17).
What are the key properties of 9-methylcarbazole-3-carboxylic acid?
9-methylcarbazole-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcarbazole-3-carboxylic acid is sourced from PubChem (CID 614493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).