5-bromo-1-methyl-3-pyrrolidin-2-ylindole

C13H15BrN2 — CID 82667567

IUPAC5-bromo-1-methyl-3-pyrrolidin-2-ylindole
SMILESCn1cc(C2CCCN2)c2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2/c1-16-8-11(12-3-2-6-15-12)10-7-9(14)4-5-13(10)16/h4-5,7-8,12,15H,2-3,6H2,1H3
InChIKeySZYYPDHLSHOUFI-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.37
Rot. Bonds1

About 5-bromo-1-methyl-3-pyrrolidin-2-ylindole

5-bromo-1-methyl-3-pyrrolidin-2-ylindole (PubChem CID 82667567) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-pyrrolidin-2-ylindole.

Molecular Properties

Compound Name5-bromo-1-methyl-3-pyrrolidin-2-ylindole
PubChem CID82667567
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name5-bromo-1-methyl-3-pyrrolidin-2-ylindole
SMILESCn1cc(C2CCCN2)c2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2/c1-16-8-11(12-3-2-6-15-12)10-7-9(14)4-5-13(10)16/h4-5,7-8,12,15H,2-3,6H2,1H3
InChIKeySZYYPDHLSHOUFI-UHFFFAOYSA-N
XLogP3.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131190573
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(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-(5-bromo-2-methylsulfonylphenyl)pyrrolidine
CID 117489419
2-(2,4-dibromophenyl)azepane
CID 107938538
4-bromo-2-piperidin-2-ylphenol
CID 82623427
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone
CID 82278845
1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
CID 82667140
(5R)-12-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 755461
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-pyrrolidin-2-ylindole?
The IUPAC name of 5-bromo-1-methyl-3-pyrrolidin-2-ylindole (CID 82667567) is 5-bromo-1-methyl-3-pyrrolidin-2-ylindole.
What is the SMILES notation for 5-bromo-1-methyl-3-pyrrolidin-2-ylindole?
The canonical SMILES for 5-bromo-1-methyl-3-pyrrolidin-2-ylindole is Cn1cc(C2CCCN2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-3-pyrrolidin-2-ylindole?
The InChIKey is SZYYPDHLSHOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-16-8-11(12-3-2-6-15-12)10-7-9(14)4-5-13(10)16/h4-5,7-8,12,15H,2-3,6H2,1H3.
What are the key properties of 5-bromo-1-methyl-3-pyrrolidin-2-ylindole?
5-bromo-1-methyl-3-pyrrolidin-2-ylindole has a molecular weight of 279.18 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-pyrrolidin-2-ylindole is sourced from PubChem (CID 82667567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).