2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

C19H22FNO4 — CID 108642681

IUPAC2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(F)cc1
InChIInChI=1S/C19H22FNO4/c1-11(2)17(22)15-16(12-5-7-13(20)8-6-12)21(19(24)18(15)23)10-14-4-3-9-25-14/h5-8,11,14,16,23H,3-4,9-10H2,1-2H3
InChIKeyFZGNULNDWHLWRX-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108642681) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108642681
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(F)cc1
InChIInChI=1S/C19H22FNO4/c1-11(2)17(22)15-16(12-5-7-13(20)8-6-12)21(19(24)18(15)23)10-14-4-3-9-25-14/h5-8,11,14,16,23H,3-4,9-10H2,1-2H3
InChIKeyFZGNULNDWHLWRX-UHFFFAOYSA-N
XLogP2.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847486
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 3152545
(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847442
4-hydroxy-2-(1H-indol-3-yl)-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108604042
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108612339
2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one
CID 108649303
4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634205
4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634202
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108642700
(4Z)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108642669
(2R)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1364706
2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108641843

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (CID 108642681) is 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is FZGNULNDWHLWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-11(2)17(22)15-16(12-5-7-13(20)8-6-12)21(19(24)18(15)23)10-14-4-3-9-25-14/h5-8,11,14,16,23H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 347.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108642681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).