5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride

C10H13BrClN — CID 24992965

IUPAC5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride
SMILESCC1(C)CNc2ccc(Br)cc21.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-10(2)6-12-9-4-3-7(11)5-8(9)10;/h3-5,12H,6H2,1-2H3;1H
InChIKeyIBNDRJCVQYXRDI-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.57
Rot. Bonds

About 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride

5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride (PubChem CID 24992965) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride.

Molecular Properties

Compound Name5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride
PubChem CID24992965
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride
SMILESCC1(C)CNc2ccc(Br)cc21.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-10(2)6-12-9-4-3-7(11)5-8(9)10;/h3-5,12H,6H2,1-2H3;1H
InChIKeyIBNDRJCVQYXRDI-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.57
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-dimethyl-1,2-dihydroindole;hydrochloride?
The IUPAC name of 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride (CID 24992965) is 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride.
What is the SMILES notation for 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The canonical SMILES for 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride is CC1(C)CNc2ccc(Br)cc21.Cl.
What is the InChIKey of 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
The InChIKey is IBNDRJCVQYXRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-10(2)6-12-9-4-3-7(11)5-8(9)10;/h3-5,12H,6H2,1-2H3;1H.
What are the key properties of 5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride?
5-bromo-3,3-dimethyl-1,2-dihydroindole;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.57, 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-dimethyl-1,2-dihydroindole;hydrochloride is sourced from PubChem (CID 24992965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).