6-bromo-1-(1-methylpyrrolidin-3-yl)indole

C13H15BrN2 — CID 137382323

IUPAC6-bromo-1-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(n2ccc3ccc(Br)cc32)C1
InChIInChI=1S/C13H15BrN2/c1-15-6-5-12(9-15)16-7-4-10-2-3-11(14)8-13(10)16/h2-4,7-8,12H,5-6,9H2,1H3
InChIKeySGCTYZVCNAGPKG-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.28
Rot. Bonds1

About 6-bromo-1-(1-methylpyrrolidin-3-yl)indole

6-bromo-1-(1-methylpyrrolidin-3-yl)indole (PubChem CID 137382323) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-1-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name6-bromo-1-(1-methylpyrrolidin-3-yl)indole
PubChem CID137382323
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-1-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(n2ccc3ccc(Br)cc32)C1
InChIInChI=1S/C13H15BrN2/c1-15-6-5-12(9-15)16-7-4-10-2-3-11(14)8-13(10)16/h2-4,7-8,12H,5-6,9H2,1H3
InChIKeySGCTYZVCNAGPKG-UHFFFAOYSA-N
XLogP3.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 6-bromo-1-(1-methylpyrrolidin-3-yl)indole (CID 137382323) is 6-bromo-1-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 6-bromo-1-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 6-bromo-1-(1-methylpyrrolidin-3-yl)indole is CN1CCC(n2ccc3ccc(Br)cc32)C1.
What is the InChIKey of 6-bromo-1-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is SGCTYZVCNAGPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-15-6-5-12(9-15)16-7-4-10-2-3-11(14)8-13(10)16/h2-4,7-8,12H,5-6,9H2,1H3.
What are the key properties of 6-bromo-1-(1-methylpyrrolidin-3-yl)indole?
6-bromo-1-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 279.18 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 137382323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).