2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole

C13H17N — CID 89395387

IUPAC2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole
SMILESCC1CCc2c([nH]c3c2CCC=C3)C1
InChIInChI=1S/C13H17N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h3,5,9,14H,2,4,6-8H2,1H3
InChIKeyFWIUZMJCIIIYIT-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.10
Rot. Bonds

About 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole

2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole (PubChem CID 89395387) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole.

Molecular Properties

Compound Name2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole
PubChem CID89395387
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole
SMILESCC1CCc2c([nH]c3c2CCC=C3)C1
InChIInChI=1S/C13H17N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h3,5,9,14H,2,4,6-8H2,1H3
InChIKeyFWIUZMJCIIIYIT-UHFFFAOYSA-N
XLogP3.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole?
The IUPAC name of 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole (CID 89395387) is 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole.
What is the SMILES notation for 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole?
The canonical SMILES for 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole is CC1CCc2c([nH]c3c2CCC=C3)C1.
What is the InChIKey of 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole?
The InChIKey is FWIUZMJCIIIYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h3,5,9,14H,2,4,6-8H2,1H3.
What are the key properties of 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole?
2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole has a molecular weight of 187.29 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole is sourced from PubChem (CID 89395387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).