4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one

C13H14FNO — CID 142135206

IUPAC4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
SMILESCC1=C(F)C(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C13H14FNO/c1-9-8-15(13(16)12(9)14)10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyABWFSQOOIVFPSJ-JTQLQIEISA-N
MW219.26 g/mol
LogP2.83
Rot. Bonds2

About 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one

4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one (PubChem CID 142135206) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
PubChem CID142135206
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
SMILESCC1=C(F)C(=O)N([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C13H14FNO/c1-9-8-15(13(16)12(9)14)10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKeyABWFSQOOIVFPSJ-JTQLQIEISA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92974392
ethyl 4-hydroxy-5-oxo-1-[(1R)-1-phenylethyl]-2H-pyrrole-3-carboxylate
CID 54737685
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 123767911
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651
4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one
CID 142826183
3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11716286
3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-5-carbonitrile
CID 134537684
(3S)-3-[(2,6-dimethylphenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741151
3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11645209
(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741145

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one?
The IUPAC name of 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one (CID 142135206) is 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one is CC1=C(F)C(=O)N([C@@H](C)c2ccccc2)C1.
What is the InChIKey of 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one?
The InChIKey is ABWFSQOOIVFPSJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14FNO/c1-9-8-15(13(16)12(9)14)10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one?
4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one has a molecular weight of 219.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one is sourced from PubChem (CID 142135206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).