1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one

C11H12BrNO2 — CID 168702702

IUPAC1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cccc(Br)c1N1CC(O)CC1=O
InChIInChI=1S/C11H12BrNO2/c1-7-3-2-4-9(12)11(7)13-6-8(14)5-10(13)15/h2-4,8,14H,5-6H2,1H3
InChIKeyFFMYFVQBLRVKAK-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.86
Rot. Bonds1

About 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one

1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702702) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702702
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
SMILESCc1cccc(Br)c1N1CC(O)CC1=O
InChIInChI=1S/C11H12BrNO2/c1-7-3-2-4-9(12)11(7)13-6-8(14)5-10(13)15/h2-4,8,14H,5-6H2,1H3
InChIKeyFFMYFVQBLRVKAK-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703162
1-(2,6-dimethylphenyl)-4-hydroxypiperidin-2-one
CID 117014001
1-(2-amino-4-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702632
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168702711
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168702370
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
3-hydroxy-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703238
4-hydroxy-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-one
CID 168702567
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
1-(2,6-dibromophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671218

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one (CID 168702702) is 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one is Cc1cccc(Br)c1N1CC(O)CC1=O.
What is the InChIKey of 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is FFMYFVQBLRVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-7-3-2-4-9(12)11(7)13-6-8(14)5-10(13)15/h2-4,8,14H,5-6H2,1H3.
What are the key properties of 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one?
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).