5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

C15H17NO2 — CID 82386293

IUPAC5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
SMILESCc1ccc(C)c2c3c([nH]c12)C(C(=O)O)CCC3
InChIInChI=1S/C15H17NO2/c1-8-6-7-9(2)13-12(8)10-4-3-5-11(15(17)18)14(10)16-13/h6-7,11,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyYOBXVEUQVNPRSW-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.29
Rot. Bonds1

About 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid (PubChem CID 82386293) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
PubChem CID82386293
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
SMILESCc1ccc(C)c2c3c([nH]c12)C(C(=O)O)CCC3
InChIInChI=1S/C15H17NO2/c1-8-6-7-9(2)13-12(8)10-4-3-5-11(15(17)18)14(10)16-13/h6-7,11,16H,3-5H2,1-2H3,(H,17,18)
InChIKeyYOBXVEUQVNPRSW-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 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The IUPAC name of 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid (CID 82386293) is 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid.
What is the SMILES notation for 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The canonical SMILES for 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid is Cc1ccc(C)c2c3c([nH]c12)C(C(=O)O)CCC3.
What is the InChIKey of 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
The InChIKey is YOBXVEUQVNPRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8-6-7-9(2)13-12(8)10-4-3-5-11(15(17)18)14(10)16-13/h6-7,11,16H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid?
5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-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 5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid is sourced from PubChem (CID 82386293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).