3-(4-bromophenoxy)pyrrolidine

C10H12BrNO — CID 12999572

IUPAC3-(4-bromophenoxy)pyrrolidine
SMILESBrc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2
InChIKeyXOUVGXLUIDZSLH-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.19
Rot. Bonds2

About 3-(4-bromophenoxy)pyrrolidine

3-(4-bromophenoxy)pyrrolidine (PubChem CID 12999572) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-(4-bromophenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(4-bromophenoxy)pyrrolidine
PubChem CID12999572
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-(4-bromophenoxy)pyrrolidine
SMILESBrc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2
InChIKeyXOUVGXLUIDZSLH-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)pyrrolidine?
The IUPAC name of 3-(4-bromophenoxy)pyrrolidine (CID 12999572) is 3-(4-bromophenoxy)pyrrolidine.
What is the SMILES notation for 3-(4-bromophenoxy)pyrrolidine?
The canonical SMILES for 3-(4-bromophenoxy)pyrrolidine is Brc1ccc(OC2CCNC2)cc1.
What is the InChIKey of 3-(4-bromophenoxy)pyrrolidine?
The InChIKey is XOUVGXLUIDZSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2.
What are the key properties of 3-(4-bromophenoxy)pyrrolidine?
3-(4-bromophenoxy)pyrrolidine has a molecular weight of 242.12 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)pyrrolidine is sourced from PubChem (CID 12999572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).