6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid

C15H17NO3 — CID 84637748

IUPAC6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
SMILESCOc1cc(C)c2[nH]c3c(c2c1)CC(C(=O)O)CC3
InChIInChI=1S/C15H17NO3/c1-8-5-10(19-2)7-12-11-6-9(15(17)18)3-4-13(11)16-14(8)12/h5,7,9,16H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyAUPWVXMBCGOCIE-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.67
Rot. Bonds2

About 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid

6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (PubChem CID 84637748) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
PubChem CID84637748
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
SMILESCOc1cc(C)c2[nH]c3c(c2c1)CC(C(=O)O)CC3
InChIInChI=1S/C15H17NO3/c1-8-5-10(19-2)7-12-11-6-9(15(17)18)3-4-13(11)16-14(8)12/h5,7,9,16H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyAUPWVXMBCGOCIE-UHFFFAOYSA-N
XLogP2.67
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84641954
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 66604417
6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 65332564
3-formyl-5-methoxy-7-methyl-1H-indole-2-carboxylic acid
CID 84627395
(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84631512
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 113203936
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83883117
6-methoxy-N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 84741634
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 139021106
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid?
The IUPAC name of 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (CID 84637748) is 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid?
The canonical SMILES for 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid is COc1cc(C)c2[nH]c3c(c2c1)CC(C(=O)O)CC3.
What is the InChIKey of 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid?
The InChIKey is AUPWVXMBCGOCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-8-5-10(19-2)7-12-11-6-9(15(17)18)3-4-13(11)16-14(8)12/h5,7,9,16H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid?
6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid is sourced from PubChem (CID 84637748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).