(4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione

C18H15NO3 — CID 5336857

IUPAC(4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione
SMILESCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15NO3/c1-19-15(12-8-4-2-5-9-12)14(17(21)18(19)22)16(20)13-10-6-3-7-11-13/h2-11,15,20H,1H3/b16-14+
InChIKeyNHLYHDFULMCMHJ-JQIJEIRASA-N
MW293.32 g/mol
LogP2.74
Rot. Bonds2

About (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione

(4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione (PubChem CID 5336857) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione
PubChem CID5336857
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione
SMILESCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15NO3/c1-19-15(12-8-4-2-5-9-12)14(17(21)18(19)22)16(20)13-10-6-3-7-11-13/h2-11,15,20H,1H3/b16-14+
InChIKeyNHLYHDFULMCMHJ-JQIJEIRASA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione (CID 5336857) is (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione is CN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione?
The InChIKey is NHLYHDFULMCMHJ-JQIJEIRASA-N. The full InChI is InChI=1S/C18H15NO3/c1-19-15(12-8-4-2-5-9-12)14(17(21)18(19)22)16(20)13-10-6-3-7-11-13/h2-11,15,20H,1H3/b16-14+.
What are the key properties of (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione?
(4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione has a molecular weight of 293.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[hydroxy(phenyl)methylidene]-1-methyl-5-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 5336857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).