4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione

C19H19FN2O3 — CID 66789224

IUPAC4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(=C(O)c2ccc(Cc3ccc(F)cc3)[nH]2)C(=O)C1=O
InChIInChI=1S/C19H19FN2O3/c1-11(2)22-10-15(18(24)19(22)25)17(23)16-8-7-14(21-16)9-12-3-5-13(20)6-4-12/h3-8,11,21,23H,9-10H2,1-2H3
InChIKeyYCFUOYPHZUTGMW-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.83
Rot. Bonds4

About 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione

4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione (PubChem CID 66789224) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
PubChem CID66789224
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(=C(O)c2ccc(Cc3ccc(F)cc3)[nH]2)C(=O)C1=O
InChIInChI=1S/C19H19FN2O3/c1-11(2)22-10-15(18(24)19(22)25)17(23)16-8-7-14(21-16)9-12-3-5-13(20)6-4-12/h3-8,11,21,23H,9-10H2,1-2H3
InChIKeyYCFUOYPHZUTGMW-UHFFFAOYSA-N
XLogP2.83
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione
CID 22937823
(4Z)-4-[[3-[(4-fluorophenyl)methyl]phenyl]-hydroxymethylidene]-1-methylpyrrolidine-2,3-dione
CID 87151884
3-[4-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 66789715
4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110708991
3-[4-[(4-fluorophenyl)methyl]-1,3-oxazole-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 66789250
1-(5-benzyl-1H-pyrrol-2-yl)ethanone
CID 156581411
4-[5-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carbonyl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 91601177
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(1-hydroxypropan-2-yl)-2H-pyrrol-5-one
CID 66789283
6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one
CID 45161024
(3S)-3-[[(2S)-2-[(5-benzyl-1H-pyrrole-2-carbonyl)amino]propanoyl]amino]-4-oxobutanoic acid
CID 22881967
(3Z)-3,5-bis[(4-fluorophenyl)methylidene]-1-propan-2-ylpiperidin-4-one
CID 7007670

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione (CID 66789224) is 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione is CC(C)N1CC(=C(O)c2ccc(Cc3ccc(F)cc3)[nH]2)C(=O)C1=O.
What is the InChIKey of 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione?
The InChIKey is YCFUOYPHZUTGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-11(2)22-10-15(18(24)19(22)25)17(23)16-8-7-14(21-16)9-12-3-5-13(20)6-4-12/h3-8,11,21,23H,9-10H2,1-2H3.
What are the key properties of 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione?
4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione has a molecular weight of 342.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl]-hydroxymethylidene]-1-propan-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 66789224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).