(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione

C23H24FNO4 — CID 108621640

IUPAC(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione
SMILESCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(F)cc2)C1c1cccc(OC(C)C)c1
InChIInChI=1S/C23H24FNO4/c1-4-12-25-20(16-6-5-7-18(13-16)29-14(2)3)19(22(27)23(25)28)21(26)15-8-10-17(24)11-9-15/h5-11,13-14,20,26H,4,12H2,1-3H3/b21-19-
InChIKeyDGJZHGIQEOROOQ-VZCXRCSSSA-N
MW397.45 g/mol
LogP4.44
Rot. Bonds6

About (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione

(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione (PubChem CID 108621640) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione
PubChem CID108621640
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Name(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione
SMILESCCCN1C(=O)C(=O)/C(=C(\O)c2ccc(F)cc2)C1c1cccc(OC(C)C)c1
InChIInChI=1S/C23H24FNO4/c1-4-12-25-20(16-6-5-7-18(13-16)29-14(2)3)19(22(27)23(25)28)21(26)15-8-10-17(24)11-9-15/h5-11,13-14,20,26H,4,12H2,1-3H3/b21-19-
InChIKeyDGJZHGIQEOROOQ-VZCXRCSSSA-N
XLogP4.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione
CID 108621644
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-butyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108621546
(4Z)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-[3-(3-hydroxypropoxy)phenyl]-1-propylpyrrolidine-2,3-dione
CID 108664963
(4E)-4-[(4-ethoxy-3-propan-2-ylphenyl)-hydroxymethylidene]-1-[2-(4-fluorophenyl)ethyl]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721637
(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-1-[2-(4-fluorophenyl)ethyl]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721668
(4Z)-5-(3,4-dichlorophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-propylpyrrolidine-2,3-dione
CID 108644202
(4Z)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-propylpyrrolidine-2,3-dione
CID 108643410
(4Z)-4-[(4-bromo-3-methylphenyl)-hydroxymethylidene]-1-butyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108621517
(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-1-(3-methoxypropyl)-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586562
(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-pentyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586779
(4Z)-4-[(4-bromo-3-methylphenyl)-hydroxymethylidene]-1-pentyl-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108586719
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[2-(4-fluorophenyl)ethyl]-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108721665

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione (CID 108621640) is (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione is CCCN1C(=O)C(=O)/C(=C(\O)c2ccc(F)cc2)C1c1cccc(OC(C)C)c1.
What is the InChIKey of (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione?
The InChIKey is DGJZHGIQEOROOQ-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-4-12-25-20(16-6-5-7-18(13-16)29-14(2)3)19(22(27)23(25)28)21(26)15-8-10-17(24)11-9-15/h5-11,13-14,20,26H,4,12H2,1-3H3/b21-19-.
What are the key properties of (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione?
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione has a molecular weight of 397.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-propan-2-yloxyphenyl)-1-propylpyrrolidine-2,3-dione is sourced from PubChem (CID 108621640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).