6-bromo-1-methyl-2,3-dihydroindole

C9H10BrN — CID 13098380

IUPAC6-bromo-1-methyl-2,3-dihydroindole
SMILESCN1CCc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyKXJIMNJESWOULY-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.44
Rot. Bonds

About 6-bromo-1-methyl-2,3-dihydroindole

6-bromo-1-methyl-2,3-dihydroindole (PubChem CID 13098380) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 6-bromo-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-bromo-1-methyl-2,3-dihydroindole
PubChem CID13098380
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name6-bromo-1-methyl-2,3-dihydroindole
SMILESCN1CCc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-3,6H,4-5H2,1H3
InChIKeyKXJIMNJESWOULY-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-2,3-dihydroindole?
The IUPAC name of 6-bromo-1-methyl-2,3-dihydroindole (CID 13098380) is 6-bromo-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 6-bromo-1-methyl-2,3-dihydroindole?
The canonical SMILES for 6-bromo-1-methyl-2,3-dihydroindole is CN1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-2,3-dihydroindole?
The InChIKey is KXJIMNJESWOULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-bromo-1-methyl-2,3-dihydroindole?
6-bromo-1-methyl-2,3-dihydroindole has a molecular weight of 212.09 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 13098380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).