1-ethyl-4-methyl-2,3-dihydroindole

C11H15N — CID 13080895

IUPAC1-ethyl-4-methyl-2,3-dihydroindole
SMILESCCN1CCc2c(C)cccc21
InChIInChI=1S/C11H15N/c1-3-12-8-7-10-9(2)5-4-6-11(10)12/h4-6H,3,7-8H2,1-2H3
InChIKeyPIUPIJIOTOXLMO-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.38
Rot. Bonds1

About 1-ethyl-4-methyl-2,3-dihydroindole

1-ethyl-4-methyl-2,3-dihydroindole (PubChem CID 13080895) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-4-methyl-2,3-dihydroindole
PubChem CID13080895
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-ethyl-4-methyl-2,3-dihydroindole
SMILESCCN1CCc2c(C)cccc21
InChIInChI=1S/C11H15N/c1-3-12-8-7-10-9(2)5-4-6-11(10)12/h4-6H,3,7-8H2,1-2H3
InChIKeyPIUPIJIOTOXLMO-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-2,3-dihydroindole?
The IUPAC name of 1-ethyl-4-methyl-2,3-dihydroindole (CID 13080895) is 1-ethyl-4-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-4-methyl-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-4-methyl-2,3-dihydroindole is CCN1CCc2c(C)cccc21.
What is the InChIKey of 1-ethyl-4-methyl-2,3-dihydroindole?
The InChIKey is PIUPIJIOTOXLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-12-8-7-10-9(2)5-4-6-11(10)12/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-2,3-dihydroindole?
1-ethyl-4-methyl-2,3-dihydroindole has a molecular weight of 161.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-2,3-dihydroindole is sourced from PubChem (CID 13080895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).