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

C12H16BrN — CID 83960311

IUPAC5-bromo-3-methyl-1-propyl-2,3-dihydroindole
SMILESCCCN1CC(C)c2cc(Br)ccc21
InChIInChI=1S/C12H16BrN/c1-3-6-14-8-9(2)11-7-10(13)4-5-12(11)14/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyAFEMIXDLTSMDDS-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.78
Rot. Bonds2

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

5-bromo-3-methyl-1-propyl-2,3-dihydroindole (PubChem CID 83960311) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-propyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-3-methyl-1-propyl-2,3-dihydroindole
PubChem CID83960311
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name5-bromo-3-methyl-1-propyl-2,3-dihydroindole
SMILESCCCN1CC(C)c2cc(Br)ccc21
InChIInChI=1S/C12H16BrN/c1-3-6-14-8-9(2)11-7-10(13)4-5-12(11)14/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyAFEMIXDLTSMDDS-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-propyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-3-methyl-1-propyl-2,3-dihydroindole (CID 83960311) is 5-bromo-3-methyl-1-propyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-3-methyl-1-propyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-3-methyl-1-propyl-2,3-dihydroindole is CCCN1CC(C)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-methyl-1-propyl-2,3-dihydroindole?
The InChIKey is AFEMIXDLTSMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-3-6-14-8-9(2)11-7-10(13)4-5-12(11)14/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-1-propyl-2,3-dihydroindole?
5-bromo-3-methyl-1-propyl-2,3-dihydroindole has a molecular weight of 254.17 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-propyl-2,3-dihydroindole is sourced from PubChem (CID 83960311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).