5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole

C13H15BrN2 — CID 29460

IUPAC5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole
SMILESCN1CCCC1c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2/c1-16-6-2-3-13(16)11-8-15-12-5-4-9(14)7-10(11)12/h4-5,7-8,13,15H,2-3,6H2,1H3
InChIKeyHDPUHIPIPLGBTR-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.70
Rot. Bonds1

About 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole

5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole (PubChem CID 29460) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole
PubChem CID29460
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole
SMILESCN1CCCC1c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C13H15BrN2/c1-16-6-2-3-13(16)11-8-15-12-5-4-9(14)7-10(11)12/h4-5,7-8,13,15H,2-3,6H2,1H3
InChIKeyHDPUHIPIPLGBTR-UHFFFAOYSA-N
XLogP3.70
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole (CID 29460) is 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole is CN1CCCC1c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole?
The InChIKey is HDPUHIPIPLGBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-16-6-2-3-13(16)11-8-15-12-5-4-9(14)7-10(11)12/h4-5,7-8,13,15H,2-3,6H2,1H3.
What are the key properties of 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole?
5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole has a molecular weight of 279.18 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole is sourced from PubChem (CID 29460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).