2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine

C13H16BrN — CID 84711652

IUPAC2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
SMILESBrc1cc(C2CCCN2)cc2c1CCC2
InChIInChI=1S/C13H16BrN/c14-12-8-10(13-5-2-6-15-13)7-9-3-1-4-11(9)12/h7-8,13,15H,1-6H2
InChIKeySBJABMCCOGJAKF-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.36
Rot. Bonds1

About 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine

2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine (PubChem CID 84711652) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine.

Molecular Properties

Compound Name2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
PubChem CID84711652
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
SMILESBrc1cc(C2CCCN2)cc2c1CCC2
InChIInChI=1S/C13H16BrN/c14-12-8-10(13-5-2-6-15-13)7-9-3-1-4-11(9)12/h7-8,13,15H,1-6H2
InChIKeySBJABMCCOGJAKF-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519431
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117474628
(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 66519043
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-(3-bromo-5-propan-2-ylphenyl)pyrrolidine
CID 84808315
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
The IUPAC name of 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine (CID 84711652) is 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine.
What is the SMILES notation for 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
The canonical SMILES for 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine is Brc1cc(C2CCCN2)cc2c1CCC2.
What is the InChIKey of 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
The InChIKey is SBJABMCCOGJAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-12-8-10(13-5-2-6-15-13)7-9-3-1-4-11(9)12/h7-8,13,15H,1-6H2.
What are the key properties of 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine?
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine has a molecular weight of 266.18 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine is sourced from PubChem (CID 84711652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).