5-bromo-1,3-dimethyl-5,6-dihydroindole

C10H12BrN — CID 90879219

IUPAC5-bromo-1,3-dimethyl-5,6-dihydroindole
SMILESCc1cn(C)c2c1=CC(Br)CC=2
InChIInChI=1S/C10H12BrN/c1-7-6-12(2)10-4-3-8(11)5-9(7)10/h4-6,8H,3H2,1-2H3
InChIKeyXPHWJRCHMOVXSP-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.06
Rot. Bonds

About 5-bromo-1,3-dimethyl-5,6-dihydroindole

5-bromo-1,3-dimethyl-5,6-dihydroindole (PubChem CID 90879219) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-5,6-dihydroindole.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-5,6-dihydroindole
PubChem CID90879219
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name5-bromo-1,3-dimethyl-5,6-dihydroindole
SMILESCc1cn(C)c2c1=CC(Br)CC=2
InChIInChI=1S/C10H12BrN/c1-7-6-12(2)10-4-3-8(11)5-9(7)10/h4-6,8H,3H2,1-2H3
InChIKeyXPHWJRCHMOVXSP-UHFFFAOYSA-N
XLogP1.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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6-bromo-5,6-dihydro-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-5,6-dihydroindole?
The IUPAC name of 5-bromo-1,3-dimethyl-5,6-dihydroindole (CID 90879219) is 5-bromo-1,3-dimethyl-5,6-dihydroindole.
What is the SMILES notation for 5-bromo-1,3-dimethyl-5,6-dihydroindole?
The canonical SMILES for 5-bromo-1,3-dimethyl-5,6-dihydroindole is Cc1cn(C)c2c1=CC(Br)CC=2.
What is the InChIKey of 5-bromo-1,3-dimethyl-5,6-dihydroindole?
The InChIKey is XPHWJRCHMOVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-6-12(2)10-4-3-8(11)5-9(7)10/h4-6,8H,3H2,1-2H3.
What are the key properties of 5-bromo-1,3-dimethyl-5,6-dihydroindole?
5-bromo-1,3-dimethyl-5,6-dihydroindole has a molecular weight of 226.12 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-5,6-dihydroindole is sourced from PubChem (CID 90879219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).