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

C11H12FNO2 — CID 83834380

IUPAC2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
SMILESCOc1ccc(F)cc1C1NCCC1=O
InChIInChI=1S/C11H12FNO2/c1-15-10-3-2-7(12)6-8(10)11-9(14)4-5-13-11/h2-3,6,11,13H,4-5H2,1H3
InChIKeyOQOKXUOJQOEFGE-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.44
Rot. Bonds2

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

2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one (PubChem CID 83834380) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
PubChem CID83834380
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
SMILESCOc1ccc(F)cc1C1NCCC1=O
InChIInChI=1S/C11H12FNO2/c1-15-10-3-2-7(12)6-8(10)11-9(14)4-5-13-11/h2-3,6,11,13H,4-5H2,1H3
InChIKeyOQOKXUOJQOEFGE-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)pyrrolidin-3-one
CID 83837131
1-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543736
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
5-(5-fluoro-2-methoxyphenyl)piperidin-2-one
CID 82127994
2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-one
CID 82781917
3-(5-fluoro-2-methoxyphenyl)pyrrolidine-2,5-dione
CID 82114724
3-(5-fluoro-2-methoxyphenyl)piperazine-2-carboxylic acid
CID 116829356
2-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-4-fluorophenoxy]acetic acid
CID 141396383
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 175530284
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846
2-(5-fluoro-2-methoxyphenyl)thiomorpholine
CID 82081138

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one (CID 83834380) is 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one is COc1ccc(F)cc1C1NCCC1=O.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one?
The InChIKey is OQOKXUOJQOEFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-10-3-2-7(12)6-8(10)11-9(14)4-5-13-11/h2-3,6,11,13H,4-5H2,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one?
2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one has a molecular weight of 209.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one is sourced from PubChem (CID 83834380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).