5-bromo-1-methoxy-3-methyl-2,3-dihydroindole

C10H12BrNO — CID 142041886

IUPAC5-bromo-1-methoxy-3-methyl-2,3-dihydroindole
SMILESCON1CC(C)c2cc(Br)ccc21
InChIInChI=1S/C10H12BrNO/c1-7-6-12(13-2)10-4-3-8(11)5-9(7)10/h3-5,7H,6H2,1-2H3
InChIKeyRMLQVEPSNHOAER-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole

5-bromo-1-methoxy-3-methyl-2,3-dihydroindole (PubChem CID 142041886) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-methoxy-3-methyl-2,3-dihydroindole
PubChem CID142041886
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name5-bromo-1-methoxy-3-methyl-2,3-dihydroindole
SMILESCON1CC(C)c2cc(Br)ccc21
InChIInChI=1S/C10H12BrNO/c1-7-6-12(13-2)10-4-3-8(11)5-9(7)10/h3-5,7H,6H2,1-2H3
InChIKeyRMLQVEPSNHOAER-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole (CID 142041886) is 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole is CON1CC(C)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
The InChIKey is RMLQVEPSNHOAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7-6-12(13-2)10-4-3-8(11)5-9(7)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
5-bromo-1-methoxy-3-methyl-2,3-dihydroindole has a molecular weight of 242.12 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole is sourced from PubChem (CID 142041886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).