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

C10H12BrN — CID 11183719

IUPAC5-bromo-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5,12H,6H2,1-2H3
InChIKeyCPLGFHHNPVKTBM-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.15
Rot. Bonds

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

5-bromo-3,3-dimethyl-1,2-dihydroindole (PubChem CID 11183719) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 5-bromo-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-bromo-3,3-dimethyl-1,2-dihydroindole
PubChem CID11183719
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name5-bromo-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5,12H,6H2,1-2H3
InChIKeyCPLGFHHNPVKTBM-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.15
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?
The IUPAC name of 5-bromo-3,3-dimethyl-1,2-dihydroindole (CID 11183719) is 5-bromo-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 5-bromo-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 5-bromo-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is CPLGFHHNPVKTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5,12H,6H2,1-2H3.
What are the key properties of 5-bromo-3,3-dimethyl-1,2-dihydroindole?
5-bromo-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 226.12 g/mol, XLogP of 3.15, 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 is sourced from PubChem (CID 11183719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).