5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one

C11H12BrNO2 — CID 82160176

IUPAC5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(Br)cc1C1CCC(=O)N1
InChIInChI=1S/C11H12BrNO2/c1-15-10-4-2-7(12)6-8(10)9-3-5-11(14)13-9/h2,4,6,9H,3,5H2,1H3,(H,13,14)
InChIKeyKVUHYIQPOQPUBJ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.41
Rot. Bonds2

About 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one

5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 82160176) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
PubChem CID82160176
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(Br)cc1C1CCC(=O)N1
InChIInChI=1S/C11H12BrNO2/c1-15-10-4-2-7(12)6-8(10)9-3-5-11(14)13-9/h2,4,6,9H,3,5H2,1H3,(H,13,14)
InChIKeyKVUHYIQPOQPUBJ-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-methoxy-5-methylphenyl)azetidin-2-one
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3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
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4-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one
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4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389204
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
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2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
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(8S)-8-(5-bromo-2-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 52903131

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one (CID 82160176) is 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one is COc1ccc(Br)cc1C1CCC(=O)N1.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is KVUHYIQPOQPUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10-4-2-7(12)6-8(10)9-3-5-11(14)13-9/h2,4,6,9H,3,5H2,1H3,(H,13,14).
What are the key properties of 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82160176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).