(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione

C23H16N2O6 — CID 108638448

IUPAC(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2O)C(c2ccccc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-6-2-1-3-7-14)19(22(28)23(24)29)21(27)15-10-12-16(13-11-15)25(30)31/h1-13,20,26-27H/b21-19-
InChIKeyBLPDMAQRQKHTLZ-VZCXRCSSSA-N
MW416.39 g/mol
LogP3.93
Rot. Bonds4

About (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione

(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione (PubChem CID 108638448) has the molecular formula C23H16N2O6 and a molecular weight of 416.39 g/mol. Its IUPAC name is (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione
PubChem CID108638448
Molecular FormulaC23H16N2O6
Molecular Weight416.39 g/mol
Exact Mass416.10
IUPAC Name(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2O)C(c2ccccc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-6-2-1-3-7-14)19(22(28)23(24)29)21(27)15-10-12-16(13-11-15)25(30)31/h1-13,20,26-27H/b21-19-
InChIKeyBLPDMAQRQKHTLZ-VZCXRCSSSA-N
XLogP3.93
TPSA120.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-4-[hydroxy-(4-nitrophenyl)methylidene]-1,5-diphenylpyrrolidine-2,3-dione
CID 7394923
(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(3-hydroxyphenyl)-1-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108647624
4-[4-[hydroxy-(4-nitrophenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid
CID 4979093
(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638104
(4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(4-methylphenyl)-5-phenylpyrrolidine-2,3-dione
CID 6078715
(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(3-hydroxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108647450
(4E)-1-(3-chlorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108639041
(4E,5R)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-nitrophenyl)-1-phenylpyrrolidine-2,3-dione
CID 5437225
(4E)-1-(5-chloro-2-hydroxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591966
(5R)-1-(4-acetylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
CID 41079277
(4Z)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108585576
(4E,5S)-1-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
CID 5441836

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione (CID 108638448) is (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione is O=C1C(=O)N(c2ccccc2O)C(c2ccccc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione?
The InChIKey is BLPDMAQRQKHTLZ-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-6-2-1-3-7-14)19(22(28)23(24)29)21(27)15-10-12-16(13-11-15)25(30)31/h1-13,20,26-27H/b21-19-.
What are the key properties of (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione?
(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione has a molecular weight of 416.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(2-hydroxyphenyl)-5-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 108638448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).