2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone

C15H17BrN2O — CID 59397812

IUPAC2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12
InChIInChI=1S/C15H17BrN2O/c1-11-9-18(10-15(19)17-6-2-3-7-17)14-5-4-12(16)8-13(11)14/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyHSQGMQDGOBMSLL-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.33
Rot. Bonds2

About 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone

2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 59397812) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID59397812
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12
InChIInChI=1S/C15H17BrN2O/c1-11-9-18(10-15(19)17-6-2-3-7-17)14-5-4-12(16)8-13(11)14/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyHSQGMQDGOBMSLL-UHFFFAOYSA-N
XLogP3.33
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone 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 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone (CID 59397812) is 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone is Cc1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is HSQGMQDGOBMSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-9-18(10-15(19)17-6-2-3-7-17)14-5-4-12(16)8-13(11)14/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 321.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 59397812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).