2-(3-bromophenyl)pyrrolidine

C10H12BrN — CID 4202301

IUPAC2-(3-bromophenyl)pyrrolidine
SMILESBrc1cccc(C2CCCN2)c1
InChIInChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKeyFIRVFEHVSIYTIO-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.87
Rot. Bonds1

About 2-(3-bromophenyl)pyrrolidine

2-(3-bromophenyl)pyrrolidine (PubChem CID 4202301) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)pyrrolidine
PubChem CID4202301
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name2-(3-bromophenyl)pyrrolidine
SMILESBrc1cccc(C2CCCN2)c1
InChIInChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKeyFIRVFEHVSIYTIO-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromophenyl)pyrrolidine (CID 4202301) is 2-(3-bromophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromophenyl)pyrrolidine is Brc1cccc(C2CCCN2)c1.
What is the InChIKey of 2-(3-bromophenyl)pyrrolidine?
The InChIKey is FIRVFEHVSIYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2.
What are the key properties of 2-(3-bromophenyl)pyrrolidine?
2-(3-bromophenyl)pyrrolidine has a molecular weight of 226.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)pyrrolidine is sourced from PubChem (CID 4202301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).