6-methoxy-2,3,4,9-tetrahydro-1H-carbazole

C13H15NO — CID 10798130

IUPAC6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H15NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,14H,2-5H2,1H3
InChIKeyLJUKCUCBMZNDOR-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.06
Rot. Bonds1

About 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole

6-methoxy-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 10798130) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID10798130
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H15NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,14H,2-5H2,1H3
InChIKeyLJUKCUCBMZNDOR-UHFFFAOYSA-N
XLogP3.06
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
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-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole (CID 10798130) is 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole is COc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is LJUKCUCBMZNDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h6-8,14H,2-5H2,1H3.
What are the key properties of 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
6-methoxy-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 201.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 10798130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).