3-ethyl-3-methylindole

C11H13N — CID 14041275

IUPAC3-ethyl-3-methylindole
SMILESCCC1(C)C=Nc2ccccc21
InChIInChI=1S/C11H13N/c1-3-11(2)8-12-10-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3
InChIKeyNRDPPVARKSPYDK-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.07
Rot. Bonds1

About 3-ethyl-3-methylindole

3-ethyl-3-methylindole (PubChem CID 14041275) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-ethyl-3-methylindole.

Molecular Properties

Compound Name3-ethyl-3-methylindole
PubChem CID14041275
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-ethyl-3-methylindole
SMILESCCC1(C)C=Nc2ccccc21
InChIInChI=1S/C11H13N/c1-3-11(2)8-12-10-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3
InChIKeyNRDPPVARKSPYDK-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylindole?
The IUPAC name of 3-ethyl-3-methylindole (CID 14041275) is 3-ethyl-3-methylindole.
What is the SMILES notation for 3-ethyl-3-methylindole?
The canonical SMILES for 3-ethyl-3-methylindole is CCC1(C)C=Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-methylindole?
The InChIKey is NRDPPVARKSPYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-11(2)8-12-10-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-3-methylindole?
3-ethyl-3-methylindole has a molecular weight of 159.23 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylindole is sourced from PubChem (CID 14041275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).