6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

C14H15NO2 — CID 2791194

IUPAC6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
SMILESCC1CCc2[nH]c3ccc(C(=O)O)cc3c2C1
InChIInChI=1S/C14H15NO2/c1-8-2-4-12-10(6-8)11-7-9(14(16)17)3-5-13(11)15-12/h3,5,7-8,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyWKBUQRILUMGUTL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.99
Rot. Bonds1

About 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (PubChem CID 2791194) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
PubChem CID2791194
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
SMILESCC1CCc2[nH]c3ccc(C(=O)O)cc3c2C1
InChIInChI=1S/C14H15NO2/c1-8-2-4-12-10(6-8)11-7-9(14(16)17)3-5-13(11)15-12/h3,5,7-8,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyWKBUQRILUMGUTL-UHFFFAOYSA-N
XLogP2.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The IUPAC name of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (CID 2791194) is 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.
What is the SMILES notation for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The canonical SMILES for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is CC1CCc2[nH]c3ccc(C(=O)O)cc3c2C1.
What is the InChIKey of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The InChIKey is WKBUQRILUMGUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-8-2-4-12-10(6-8)11-7-9(14(16)17)3-5-13(11)15-12/h3,5,7-8,15H,2,4,6H2,1H3,(H,16,17).
What are the key properties of 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is sourced from PubChem (CID 2791194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).