6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole

C14H18BrN — CID 176664780

IUPAC6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole
SMILESCC1CCC(N2CCc3ccc(Br)cc32)C1
InChIInChI=1S/C14H18BrN/c1-10-2-5-13(8-10)16-7-6-11-3-4-12(15)9-14(11)16/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyNTSLIHUXKQVSHG-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.00
Rot. Bonds1

About 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole

6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole (PubChem CID 176664780) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole.

Molecular Properties

Compound Name6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole
PubChem CID176664780
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole
SMILESCC1CCC(N2CCc3ccc(Br)cc32)C1
InChIInChI=1S/C14H18BrN/c1-10-2-5-13(8-10)16-7-6-11-3-4-12(15)9-14(11)16/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyNTSLIHUXKQVSHG-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole?
The IUPAC name of 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole (CID 176664780) is 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole.
What is the SMILES notation for 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole?
The canonical SMILES for 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole is CC1CCC(N2CCc3ccc(Br)cc32)C1.
What is the InChIKey of 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole?
The InChIKey is NTSLIHUXKQVSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-10-2-5-13(8-10)16-7-6-11-3-4-12(15)9-14(11)16/h3-4,9-10,13H,2,5-8H2,1H3.
What are the key properties of 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole?
6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole has a molecular weight of 280.21 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-methylcyclopentyl)-2,3-dihydroindole is sourced from PubChem (CID 176664780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).