(4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one

C12H14FNO2 — CID 59066516

IUPAC(4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C[C@H](c2ccccc2F)[C@@H]1CO
InChIInChI=1S/C12H14FNO2/c1-14-11(7-15)9(6-12(14)16)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyHBLCAWLMMSXKLM-KOLCDFICSA-N
MW223.25 g/mol
LogP1.13
Rot. Bonds2

About (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one

(4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 59066516) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
PubChem CID59066516
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C[C@H](c2ccccc2F)[C@@H]1CO
InChIInChI=1S/C12H14FNO2/c1-14-11(7-15)9(6-12(14)16)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7H2,1H3/t9-,11+/m1/s1
InChIKeyHBLCAWLMMSXKLM-KOLCDFICSA-N
XLogP1.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-5-((S)-1-Hydroxy-3-p-tolyl-prop-2-ynyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397756
(4R,5R)-5-((S)-1-Hydroxy-3-phenyl-prop-2-ynyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397794
(4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-prop-2-ynyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397919
(4R,5R)-5-[(S)-3-(2-Fluoro-phenyl)-1-hydroxy-prop-2-ynyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397973
(R)-3-amino-4-(2,5-difluorophenyl)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)butan-1-one
CID 44561118
(4R,5R)-5-((S)-Hydroxy-phenyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 13825991
(4R,5R)-5-[(E)-(S)-3-(4-Fluoro-phenyl)-1-hydroxy-allyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397798
(4R,5R)-5-((S)-1-Hydroxy-3-phenyl-propyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397916
(4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-propyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397917
(4R,5R)-5-((S)-1-Hydroxy-2,2-dimethyl-propyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397735
1-[(2S,3R)-2-(hydroxymethyl)-3-(4-octylphenyl)pyrrolidin-1-yl]ethanone
CID 155524241
1-[(2S,3R)-2-(hydroxymethyl)-3-[4-[(E)-oct-1-enyl]phenyl]pyrrolidin-1-yl]ethanone
CID 155525567

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one (CID 59066516) is (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one is CN1C(=O)C[C@H](c2ccccc2F)[C@@H]1CO.
What is the InChIKey of (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is HBLCAWLMMSXKLM-KOLCDFICSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14-11(7-15)9(6-12(14)16)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7H2,1H3/t9-,11+/m1/s1.
What are the key properties of (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
(4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 59066516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).