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

C13H15BrN2 — CID 15326275

IUPAC5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C13H15BrN2/c1-16-5-4-9(8-16)12-7-15-13-3-2-10(14)6-11(12)13/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyZZQOVQIQWNYKBJ-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.35
Rot. Bonds1

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

5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole (PubChem CID 15326275) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
PubChem CID15326275
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
SMILESCN1CCC(c2c[nH]c3ccc(Br)cc23)C1
InChIInChI=1S/C13H15BrN2/c1-16-5-4-9(8-16)12-7-15-13-3-2-10(14)6-11(12)13/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyZZQOVQIQWNYKBJ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-3-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole (CID 15326275) is 5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole is CN1CCC(c2c[nH]c3ccc(Br)cc23)C1.
What is the InChIKey of 5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole?
The InChIKey is ZZQOVQIQWNYKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-16-5-4-9(8-16)12-7-15-13-3-2-10(14)6-11(12)13/h2-3,6-7,9,15H,4-5,8H2,1H3.
What are the key properties of 5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole?
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole has a molecular weight of 279.18 g/mol, XLogP of 3.35, 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-3-yl)-1H-indole is sourced from PubChem (CID 15326275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).