3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one

C11H12BrNO2 — CID 82134395

IUPAC3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(Br)cc1C1CCNC1=O
InChIInChI=1S/C11H12BrNO2/c1-15-10-3-2-7(12)6-9(10)8-4-5-13-11(8)14/h2-3,6,8H,4-5H2,1H3,(H,13,14)
InChIKeyYEDAOKUMJVYXPO-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.06
Rot. Bonds2

About 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one

3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 82134395) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
PubChem CID82134395
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(Br)cc1C1CCNC1=O
InChIInChI=1S/C11H12BrNO2/c1-15-10-3-2-7(12)6-9(10)8-4-5-13-11(8)14/h2-3,6,8H,4-5H2,1H3,(H,13,14)
InChIKeyYEDAOKUMJVYXPO-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129058
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708
(8S)-8-(5-bromo-2-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 52903131
2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129055
4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389204
(3S)-3-[(5-bromo-2-methoxyphenyl)methylamino]azepan-2-one
CID 93263397
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556194
3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
CID 62094837
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one (CID 82134395) is 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one is COc1ccc(Br)cc1C1CCNC1=O.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is YEDAOKUMJVYXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10-3-2-7(12)6-9(10)8-4-5-13-11(8)14/h2-3,6,8H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one?
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82134395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).