5-ethyl-6-methyl-1H-indole

C11H13N — CID 89488982

IUPAC5-ethyl-6-methyl-1H-indole
SMILESCCc1cc2cc[nH]c2cc1C
InChIInChI=1S/C11H13N/c1-3-9-7-10-4-5-12-11(10)6-8(9)2/h4-7,12H,3H2,1-2H3
InChIKeyXZFRHKWHHQWJBO-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.04
Rot. Bonds1

About 5-ethyl-6-methyl-1H-indole

5-ethyl-6-methyl-1H-indole (PubChem CID 89488982) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-ethyl-6-methyl-1H-indole.

Molecular Properties

Compound Name5-ethyl-6-methyl-1H-indole
PubChem CID89488982
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-ethyl-6-methyl-1H-indole
SMILESCCc1cc2cc[nH]c2cc1C
InChIInChI=1S/C11H13N/c1-3-9-7-10-4-5-12-11(10)6-8(9)2/h4-7,12H,3H2,1-2H3
InChIKeyXZFRHKWHHQWJBO-UHFFFAOYSA-N
XLogP3.04
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 5-ethyl-6-methyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-1H-indole?
The IUPAC name of 5-ethyl-6-methyl-1H-indole (CID 89488982) is 5-ethyl-6-methyl-1H-indole.
What is the SMILES notation for 5-ethyl-6-methyl-1H-indole?
The canonical SMILES for 5-ethyl-6-methyl-1H-indole is CCc1cc2cc[nH]c2cc1C.
What is the InChIKey of 5-ethyl-6-methyl-1H-indole?
The InChIKey is XZFRHKWHHQWJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-9-7-10-4-5-12-11(10)6-8(9)2/h4-7,12H,3H2,1-2H3.
What are the key properties of 5-ethyl-6-methyl-1H-indole?
5-ethyl-6-methyl-1H-indole has a molecular weight of 159.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-1H-indole is sourced from PubChem (CID 89488982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).