2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine

C13H16BrN — CID 83913427

IUPAC2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine
SMILESBrc1ccc(C2(C3CCCN3)CC2)cc1
InChIInChI=1S/C13H16BrN/c14-11-5-3-10(4-6-11)13(7-8-13)12-2-1-9-15-12/h3-6,12,15H,1-2,7-9H2
InChIKeyUKDVJGJPQOEAAV-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.23
Rot. Bonds2

About 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine

2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine (PubChem CID 83913427) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine
PubChem CID83913427
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine
SMILESBrc1ccc(C2(C3CCCN3)CC2)cc1
InChIInChI=1S/C13H16BrN/c14-11-5-3-10(4-6-11)13(7-8-13)12-2-1-9-15-12/h3-6,12,15H,1-2,7-9H2
InChIKeyUKDVJGJPQOEAAV-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-bromophenyl)cyclopropyl]pyrrolidine
CID 83913426
2-[1-(4-methoxyphenyl)cyclopropyl]pyrrolidine
CID 83910096
2-(4-bromophenyl)-2-[(2S)-pyrrolidin-2-yl]-1,3-dihydroimidazole;dihydrochloride
CID 155671299
4a-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71741959
2-(1-thiophen-2-ylcyclopropyl)pyrrolidine
CID 83907665
2-[1-(3-chlorophenyl)cyclobutyl]pyrrolidine
CID 83912096
3-(1-pyrrolidin-2-ylcyclohexyl)pyridine
CID 83911588
2-[1-(2,4-difluorophenyl)cyclopropyl]pyrrolidine
CID 83910817
2-[1-(5-methylfuran-2-yl)cyclopropyl]pyrrolidine
CID 112714948
3-[1-(4-bromophenyl)cyclopropyl]azetidine;hydrochloride
CID 155819891
5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one
CID 116870825
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119513259

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine?
The IUPAC name of 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine (CID 83913427) is 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine.
What is the SMILES notation for 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine?
The canonical SMILES for 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine is Brc1ccc(C2(C3CCCN3)CC2)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine?
The InChIKey is UKDVJGJPQOEAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-11-5-3-10(4-6-11)13(7-8-13)12-2-1-9-15-12/h3-6,12,15H,1-2,7-9H2.
What are the key properties of 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine?
2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine has a molecular weight of 266.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)cyclopropyl]pyrrolidine is sourced from PubChem (CID 83913427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).