3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole

C13H15BrN2 — CID 84642527

IUPAC3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
SMILESCc1ccc2c(Br)c(C3CCCN3)[nH]c2c1
InChIInChI=1S/C13H15BrN2/c1-8-4-5-9-11(7-8)16-13(12(9)14)10-3-2-6-15-10/h4-5,7,10,15-16H,2-3,6H2,1H3
InChIKeyREJOYQYAASSNTN-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.66
Rot. Bonds1

About 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole

3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole (PubChem CID 84642527) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
PubChem CID84642527
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
SMILESCc1ccc2c(Br)c(C3CCCN3)[nH]c2c1
InChIInChI=1S/C13H15BrN2/c1-8-4-5-9-11(7-8)16-13(12(9)14)10-3-2-6-15-10/h4-5,7,10,15-16H,2-3,6H2,1H3
InChIKeyREJOYQYAASSNTN-UHFFFAOYSA-N
XLogP3.66
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole
CID 84643065
3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84643966
3,4,6-trimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84625644
6-fluoro-3-methyl-2-piperidin-2-yl-1H-indole
CID 84627006
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
1-cyclobutyl-7-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010496
5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84630290
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
3,6-dimethyl-2-piperidin-4-yl-1H-indole
CID 84625661
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole?
The IUPAC name of 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole (CID 84642527) is 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole.
What is the SMILES notation for 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole?
The canonical SMILES for 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole is Cc1ccc2c(Br)c(C3CCCN3)[nH]c2c1.
What is the InChIKey of 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole?
The InChIKey is REJOYQYAASSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-8-4-5-9-11(7-8)16-13(12(9)14)10-3-2-6-15-10/h4-5,7,10,15-16H,2-3,6H2,1H3.
What are the key properties of 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole?
3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole has a molecular weight of 279.18 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole is sourced from PubChem (CID 84642527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).