2-ethyl-3-methyl-1H-indole

C11H13N — CID 1376636

IUPAC2-ethyl-3-methyl-1H-indole
SMILESCCc1[nH]c2ccccc2c1C
InChIInChI=1S/C11H13N/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h4-7,12H,3H2,1-2H3
InChIKeyMCTKUHAXKKOMSW-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.04
Rot. Bonds1

About 2-ethyl-3-methyl-1H-indole

2-ethyl-3-methyl-1H-indole (PubChem CID 1376636) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1H-indole.

Molecular Properties

Compound Name2-ethyl-3-methyl-1H-indole
PubChem CID1376636
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-ethyl-3-methyl-1H-indole
SMILESCCc1[nH]c2ccccc2c1C
InChIInChI=1S/C11H13N/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h4-7,12H,3H2,1-2H3
InChIKeyMCTKUHAXKKOMSW-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

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 2-ethyl-3-methyl-1H-indole?
The IUPAC name of 2-ethyl-3-methyl-1H-indole (CID 1376636) is 2-ethyl-3-methyl-1H-indole.
What is the SMILES notation for 2-ethyl-3-methyl-1H-indole?
The canonical SMILES for 2-ethyl-3-methyl-1H-indole is CCc1[nH]c2ccccc2c1C.
What is the InChIKey of 2-ethyl-3-methyl-1H-indole?
The InChIKey is MCTKUHAXKKOMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h4-7,12H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-1H-indole?
2-ethyl-3-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 2-ethyl-3-methyl-1H-indole is sourced from PubChem (CID 1376636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).