1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one

C11H12FNO3 — CID 168702370

IUPAC1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
SMILESCOc1cccc(F)c1N1CC(O)CC1=O
InChIInChI=1S/C11H12FNO3/c1-16-9-4-2-3-8(12)11(9)13-6-7(14)5-10(13)15/h2-4,7,14H,5-6H2,1H3
InChIKeyYIEDHFFDEMCBQA-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.93
Rot. Bonds2

About 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one

1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702370) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168702370
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
SMILESCOc1cccc(F)c1N1CC(O)CC1=O
InChIInChI=1S/C11H12FNO3/c1-16-9-4-2-3-8(12)11(9)13-6-7(14)5-10(13)15/h2-4,7,14H,5-6H2,1H3
InChIKeyYIEDHFFDEMCBQA-UHFFFAOYSA-N
XLogP0.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693531
[1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673174
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
CID 166609101
3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one
CID 139337965
4-hydroxy-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168702268
methyl 1-(2-fluoro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694512
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702
2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid
CID 168699622
1-(2,6-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113192262
1-(2-chloro-6-methoxyphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507585
1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 139337963

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one (CID 168702370) is 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one is COc1cccc(F)c1N1CC(O)CC1=O.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is YIEDHFFDEMCBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-16-9-4-2-3-8(12)11(9)13-6-7(14)5-10(13)15/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one?
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 225.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).