9-(2-methylpropyl)carbazole-3-carboxylic acid

C17H17NO2 — CID 2195915

IUPAC9-(2-methylpropyl)carbazole-3-carboxylic acid
SMILESCC(C)Cn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H17NO2/c1-11(2)10-18-15-6-4-3-5-13(15)14-9-12(17(19)20)7-8-16(14)18/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyKCNXMVJALSOWKK-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.15
Rot. Bonds3

About 9-(2-methylpropyl)carbazole-3-carboxylic acid

9-(2-methylpropyl)carbazole-3-carboxylic acid (PubChem CID 2195915) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 9-(2-methylpropyl)carbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-(2-methylpropyl)carbazole-3-carboxylic acid
PubChem CID2195915
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name9-(2-methylpropyl)carbazole-3-carboxylic acid
SMILESCC(C)Cn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C17H17NO2/c1-11(2)10-18-15-6-4-3-5-13(15)14-9-12(17(19)20)7-8-16(14)18/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyKCNXMVJALSOWKK-UHFFFAOYSA-N
XLogP4.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)carbazole-3-carboxylic acid?
The IUPAC name of 9-(2-methylpropyl)carbazole-3-carboxylic acid (CID 2195915) is 9-(2-methylpropyl)carbazole-3-carboxylic acid.
What is the SMILES notation for 9-(2-methylpropyl)carbazole-3-carboxylic acid?
The canonical SMILES for 9-(2-methylpropyl)carbazole-3-carboxylic acid is CC(C)Cn1c2ccccc2c2cc(C(=O)O)ccc21.
What is the InChIKey of 9-(2-methylpropyl)carbazole-3-carboxylic acid?
The InChIKey is KCNXMVJALSOWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(2)10-18-15-6-4-3-5-13(15)14-9-12(17(19)20)7-8-16(14)18/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 9-(2-methylpropyl)carbazole-3-carboxylic acid?
9-(2-methylpropyl)carbazole-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)carbazole-3-carboxylic acid is sourced from PubChem (CID 2195915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).