(4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione

C22H19FN2O3 — CID 108645862

IUPAC(4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione
SMILESCCCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)C1c1ccccc1F
InChIInChI=1S/C22H19FN2O3/c1-2-11-25-19(14-8-3-5-9-16(14)23)18(21(27)22(25)28)20(26)15-12-24-17-10-6-4-7-13(15)17/h3-10,12,19,24,26H,2,11H2,1H3/b20-18+
InChIKeyVHIWVBRAEXNARZ-CZIZESTLSA-N
MW378.40 g/mol
LogP4.14
Rot. Bonds4

About (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione

(4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione (PubChem CID 108645862) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione
PubChem CID108645862
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name(4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione
SMILESCCCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)C1c1ccccc1F
InChIInChI=1S/C22H19FN2O3/c1-2-11-25-19(14-8-3-5-9-16(14)23)18(21(27)22(25)28)20(26)15-12-24-17-10-6-4-7-13(15)17/h3-10,12,19,24,26H,2,11H2,1H3/b20-18+
InChIKeyVHIWVBRAEXNARZ-CZIZESTLSA-N
XLogP4.14
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.14
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

(4Z)-5-(furan-2-yl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione
CID 108656675
(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108652337
(4E)-5-(2-fluorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108644524
4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,3-dione
CID 3565815
(4Z)-1-butyl-5-(4-tert-butylphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108620734
(4E,5S)-5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 98354884
5-(2-fluorophenyl)-1-hexyl-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 2875935
(4E)-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-(1H-indol-3-yl)-1-propylpyrrolidine-2,3-dione
CID 108646580
(4E)-4-[(5-chloro-2,4-dimethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-propylpyrrolidine-2,3-dione
CID 108645882
(5S)-1-butyl-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 7368325
(4Z)-1-[2-(diethylamino)ethyl]-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108617903
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-propylpyrrolidine-2,3-dione
CID 108645896

Frequently Asked Questions

What is the IUPAC name of (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione?
The IUPAC name of (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione (CID 108645862) is (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione?
The canonical SMILES for (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione is CCCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)C1c1ccccc1F.
What is the InChIKey of (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione?
The InChIKey is VHIWVBRAEXNARZ-CZIZESTLSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-2-11-25-19(14-8-3-5-9-16(14)23)18(21(27)22(25)28)20(26)15-12-24-17-10-6-4-7-13(15)17/h3-10,12,19,24,26H,2,11H2,1H3/b20-18+.
What are the key properties of (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione?
(4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione has a molecular weight of 378.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(2-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-propylpyrrolidine-2,3-dione is sourced from PubChem (CID 108645862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).