5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole

C13H15BrN2 — CID 66670945

IUPAC5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]c(CN3CCCC3)cc2c1
InChIInChI=1S/C13H15BrN2/c14-11-3-4-13-10(7-11)8-12(15-13)9-16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6,9H2
InChIKeyQMNJFIBXZLHWAR-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.53
Rot. Bonds2

About 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole

5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole (PubChem CID 66670945) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
PubChem CID66670945
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
SMILESBrc1ccc2[nH]c(CN3CCCC3)cc2c1
InChIInChI=1S/C13H15BrN2/c14-11-3-4-13-10(7-11)8-12(15-13)9-16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6,9H2
InChIKeyQMNJFIBXZLHWAR-UHFFFAOYSA-N
XLogP3.53
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The IUPAC name of 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole (CID 66670945) is 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The canonical SMILES for 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole is Brc1ccc2[nH]c(CN3CCCC3)cc2c1.
What is the InChIKey of 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole?
The InChIKey is QMNJFIBXZLHWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-11-3-4-13-10(7-11)8-12(15-13)9-16-5-1-2-6-16/h3-4,7-8,15H,1-2,5-6,9H2.
What are the key properties of 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole?
5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole has a molecular weight of 279.18 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 66670945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).