(4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione

C19H17NO4 — CID 5310642

IUPAC(4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
SMILESCOc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)cc1
InChIInChI=1S/C19H17NO4/c1-20-16(12-8-10-14(24-2)11-9-12)15(18(22)19(20)23)17(21)13-6-4-3-5-7-13/h3-11,16,21H,1-2H3/b17-15-
InChIKeyNDJNBDFBZUWNRT-ICFOKQHNSA-N
MW323.35 g/mol
LogP2.75
Rot. Bonds3

About (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione

(4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione (PubChem CID 5310642) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
PubChem CID5310642
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione
SMILESCOc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)cc1
InChIInChI=1S/C19H17NO4/c1-20-16(12-8-10-14(24-2)11-9-12)15(18(22)19(20)23)17(21)13-6-4-3-5-7-13/h3-11,16,21H,1-2H3/b17-15-
InChIKeyNDJNBDFBZUWNRT-ICFOKQHNSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione (CID 5310642) is (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione is COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)cc1.
What is the InChIKey of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione?
The InChIKey is NDJNBDFBZUWNRT-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H17NO4/c1-20-16(12-8-10-14(24-2)11-9-12)15(18(22)19(20)23)17(21)13-6-4-3-5-7-13/h3-11,16,21H,1-2H3/b17-15-.
What are the key properties of (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione?
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione has a molecular weight of 323.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-methylpyrrolidine-2,3-dione is sourced from PubChem (CID 5310642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).