3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one

C9H10BrNO2S — CID 178130983

IUPAC3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2ccc(Br)s2)C1=O
InChIInChI=1S/C9H10BrNO2S/c1-11-5-4-9(13,8(11)12)6-2-3-7(10)14-6/h2-3,13H,4-5H2,1H3
InChIKeyGWGMUVQNFGWNIB-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.56
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one

3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 178130983) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID178130983
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2ccc(Br)s2)C1=O
InChIInChI=1S/C9H10BrNO2S/c1-11-5-4-9(13,8(11)12)6-2-3-7(10)14-6/h2-3,13H,4-5H2,1H3
InChIKeyGWGMUVQNFGWNIB-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one (CID 178130983) is 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(c2ccc(Br)s2)C1=O.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is GWGMUVQNFGWNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c1-11-5-4-9(13,8(11)12)6-2-3-7(10)14-6/h2-3,13H,4-5H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one?
3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 276.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 178130983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).