5-bromo-3,3,7-trimethyl-1,2-dihydroindole

C11H14BrN — CID 79016325

IUPAC5-bromo-3,3,7-trimethyl-1,2-dihydroindole
SMILESCc1cc(Br)cc2c1NCC2(C)C
InChIInChI=1S/C11H14BrN/c1-7-4-8(12)5-9-10(7)13-6-11(9,2)3/h4-5,13H,6H2,1-3H3
InChIKeyGSXCAYFDMUEBAX-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.46
Rot. Bonds

About 5-bromo-3,3,7-trimethyl-1,2-dihydroindole

5-bromo-3,3,7-trimethyl-1,2-dihydroindole (PubChem CID 79016325) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 5-bromo-3,3,7-trimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-bromo-3,3,7-trimethyl-1,2-dihydroindole
PubChem CID79016325
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name5-bromo-3,3,7-trimethyl-1,2-dihydroindole
SMILESCc1cc(Br)cc2c1NCC2(C)C
InChIInChI=1S/C11H14BrN/c1-7-4-8(12)5-9-10(7)13-6-11(9,2)3/h4-5,13H,6H2,1-3H3
InChIKeyGSXCAYFDMUEBAX-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3,7-trimethyl-1,2-dihydroindole?
The IUPAC name of 5-bromo-3,3,7-trimethyl-1,2-dihydroindole (CID 79016325) is 5-bromo-3,3,7-trimethyl-1,2-dihydroindole.
What is the SMILES notation for 5-bromo-3,3,7-trimethyl-1,2-dihydroindole?
The canonical SMILES for 5-bromo-3,3,7-trimethyl-1,2-dihydroindole is Cc1cc(Br)cc2c1NCC2(C)C.
What is the InChIKey of 5-bromo-3,3,7-trimethyl-1,2-dihydroindole?
The InChIKey is GSXCAYFDMUEBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-7-4-8(12)5-9-10(7)13-6-11(9,2)3/h4-5,13H,6H2,1-3H3.
What are the key properties of 5-bromo-3,3,7-trimethyl-1,2-dihydroindole?
5-bromo-3,3,7-trimethyl-1,2-dihydroindole has a molecular weight of 240.14 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3,7-trimethyl-1,2-dihydroindole is sourced from PubChem (CID 79016325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).