2-(5-bromothiophen-3-yl)pyrrolidine

C8H10BrNS — CID 81148238

IUPAC2-(5-bromothiophen-3-yl)pyrrolidine
SMILESBrc1cc(C2CCCN2)cs1
InChIInChI=1S/C8H10BrNS/c9-8-4-6(5-11-8)7-2-1-3-10-7/h4-5,7,10H,1-3H2
InChIKeyXOGXBHWAVZMOLT-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.94
Rot. Bonds1

About 2-(5-bromothiophen-3-yl)pyrrolidine

2-(5-bromothiophen-3-yl)pyrrolidine (PubChem CID 81148238) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-(5-bromothiophen-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-(5-bromothiophen-3-yl)pyrrolidine
PubChem CID81148238
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name2-(5-bromothiophen-3-yl)pyrrolidine
SMILESBrc1cc(C2CCCN2)cs1
InChIInChI=1S/C8H10BrNS/c9-8-4-6(5-11-8)7-2-1-3-10-7/h4-5,7,10H,1-3H2
InChIKeyXOGXBHWAVZMOLT-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-3-yl)pyrrolidine?
The IUPAC name of 2-(5-bromothiophen-3-yl)pyrrolidine (CID 81148238) is 2-(5-bromothiophen-3-yl)pyrrolidine.
What is the SMILES notation for 2-(5-bromothiophen-3-yl)pyrrolidine?
The canonical SMILES for 2-(5-bromothiophen-3-yl)pyrrolidine is Brc1cc(C2CCCN2)cs1.
What is the InChIKey of 2-(5-bromothiophen-3-yl)pyrrolidine?
The InChIKey is XOGXBHWAVZMOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c9-8-4-6(5-11-8)7-2-1-3-10-7/h4-5,7,10H,1-3H2.
What are the key properties of 2-(5-bromothiophen-3-yl)pyrrolidine?
2-(5-bromothiophen-3-yl)pyrrolidine has a molecular weight of 232.15 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-3-yl)pyrrolidine is sourced from PubChem (CID 81148238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).