1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one

C12H11BrFNO2 — CID 168686294

IUPAC1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Br)cc(F)c2O)C1
InChIInChI=1S/C12H11BrFNO2/c1-2-7-3-11(16)15(6-7)10-5-8(13)4-9(14)12(10)17/h2,4-5,7,17H,1,3,6H2
InChIKeyWPRIXTFYAXXVIU-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.83
Rot. Bonds2

About 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one

1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686294) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686294
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Br)cc(F)c2O)C1
InChIInChI=1S/C12H11BrFNO2/c1-2-7-3-11(16)15(6-7)10-5-8(13)4-9(14)12(10)17/h2,4-5,7,17H,1,3,6H2
InChIKeyWPRIXTFYAXXVIU-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663944
1-(2-bromo-4,5-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685708
1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one
CID 168685715
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(4-bromo-2-fluoro-6-nitrophenyl)-4-ethenylpyrrolidin-2-one
CID 168685676
5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzaldehyde
CID 168685774
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one (CID 168686294) is 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(Br)cc(F)c2O)C1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is WPRIXTFYAXXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-2-7-3-11(16)15(6-7)10-5-8(13)4-9(14)12(10)17/h2,4-5,7,17H,1,3,6H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 300.13 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).