5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid

C15H17NO2 — CID 84630864

IUPAC5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
SMILESCc1cc(C)c2c3c([nH]c2c1)CCCC3C(=O)O
InChIInChI=1S/C15H17NO2/c1-8-6-9(2)13-12(7-8)16-11-5-3-4-10(14(11)13)15(17)18/h6-7,10,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyGNGCMYTXYAMIQT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.29
Rot. Bonds1

About 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid

5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (PubChem CID 84630864) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid.

Molecular Properties

Compound Name5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
PubChem CID84630864
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
SMILESCc1cc(C)c2c3c([nH]c2c1)CCCC3C(=O)O
InChIInChI=1S/C15H17NO2/c1-8-6-9(2)13-12(7-8)16-11-5-3-4-10(14(11)13)15(17)18/h6-7,10,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyGNGCMYTXYAMIQT-UHFFFAOYSA-N
XLogP3.29
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The IUPAC name of 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (CID 84630864) is 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid.
What is the SMILES notation for 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The canonical SMILES for 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid is Cc1cc(C)c2c3c([nH]c2c1)CCCC3C(=O)O.
What is the InChIKey of 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The InChIKey is GNGCMYTXYAMIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8-6-9(2)13-12(7-8)16-11-5-3-4-10(14(11)13)15(17)18/h6-7,10,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid is sourced from PubChem (CID 84630864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).