5-(5-bromothiophen-2-yl)pyrrolidin-2-one

C8H8BrNOS — CID 12056449

IUPAC5-(5-bromothiophen-2-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(Br)s2)N1
InChIInChI=1S/C8H8BrNOS/c9-7-3-2-6(12-7)5-1-4-8(11)10-5/h2-3,5H,1,4H2,(H,10,11)
InChIKeyPSPGDBPWAUWJCX-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.46
Rot. Bonds1

About 5-(5-bromothiophen-2-yl)pyrrolidin-2-one

5-(5-bromothiophen-2-yl)pyrrolidin-2-one (PubChem CID 12056449) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)pyrrolidin-2-one
PubChem CID12056449
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name5-(5-bromothiophen-2-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(Br)s2)N1
InChIInChI=1S/C8H8BrNOS/c9-7-3-2-6(12-7)5-1-4-8(11)10-5/h2-3,5H,1,4H2,(H,10,11)
InChIKeyPSPGDBPWAUWJCX-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)pyrrolidin-2-one?
The IUPAC name of 5-(5-bromothiophen-2-yl)pyrrolidin-2-one (CID 12056449) is 5-(5-bromothiophen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(5-bromothiophen-2-yl)pyrrolidin-2-one is O=C1CCC(c2ccc(Br)s2)N1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)pyrrolidin-2-one?
The InChIKey is PSPGDBPWAUWJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-7-3-2-6(12-7)5-1-4-8(11)10-5/h2-3,5H,1,4H2,(H,10,11).
What are the key properties of 5-(5-bromothiophen-2-yl)pyrrolidin-2-one?
5-(5-bromothiophen-2-yl)pyrrolidin-2-one has a molecular weight of 246.13 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 12056449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).