(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one

C11H11ClFNO2 — CID 170327098

IUPAC(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O)(c2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C11H11ClFNO2/c1-14-3-2-11(16,10(14)15)7-4-8(12)6-9(13)5-7/h4-6,16H,2-3H2,1H3/t11-/m0/s1
InChIKeyVZLJJOGNHMGHSJ-NSHDSACASA-N
MW243.66 g/mol
LogP1.53
Rot. Bonds1

About (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one

(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170327098) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170327098
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@](O)(c2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C11H11ClFNO2/c1-14-3-2-11(16,10(14)15)7-4-8(12)6-9(13)5-7/h4-6,16H,2-3H2,1H3/t11-/m0/s1
InChIKeyVZLJJOGNHMGHSJ-NSHDSACASA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303332
(3R)-3-(3-bromo-4-methylphenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303279
3-[3-(3-bromo-4-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350588
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350746
(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170351570
(3R)-3-[3-(4-bromofuran-2-yl)phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303229
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(4-oxopentyl)pyrrolidine-3-carboxamide
CID 162102706
3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 178130983
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
ethane;3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 144792817
3-(3-chloro-5-fluorophenyl)-1-ethyl-1-oxidopyrrolidin-1-ium-3-ol
CID 86643427
8-[3-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]phenyl]-2-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 144793572

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one (CID 170327098) is (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@](O)(c2cc(F)cc(Cl)c2)C1=O.
What is the InChIKey of (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is VZLJJOGNHMGHSJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H11ClFNO2/c1-14-3-2-11(16,10(14)15)7-4-8(12)6-9(13)5-7/h4-6,16H,2-3H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one?
(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 243.66 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170327098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).