4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione

C20H17NO3 — CID 2890288

IUPAC4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione
SMILESC=CCN1C(=O)C(=O)C(=C(O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H17NO3/c1-2-13-21-17(14-9-5-3-6-10-14)16(19(23)20(21)24)18(22)15-11-7-4-8-12-15/h2-12,17,22H,1,13H2
InChIKeyRGZUXFMWNFGHEO-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.29
Rot. Bonds4

About 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione

4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione (PubChem CID 2890288) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione
PubChem CID2890288
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione
SMILESC=CCN1C(=O)C(=O)C(=C(O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H17NO3/c1-2-13-21-17(14-9-5-3-6-10-14)16(19(23)20(21)24)18(22)15-11-7-4-8-12-15/h2-12,17,22H,1,13H2
InChIKeyRGZUXFMWNFGHEO-UHFFFAOYSA-N
XLogP3.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.29
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione?
The IUPAC name of 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione (CID 2890288) is 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione is C=CCN1C(=O)C(=O)C(=C(O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione?
The InChIKey is RGZUXFMWNFGHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-13-21-17(14-9-5-3-6-10-14)16(19(23)20(21)24)18(22)15-11-7-4-8-12-15/h2-12,17,22H,1,13H2.
What are the key properties of 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione?
4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione has a molecular weight of 319.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methylidene]-5-phenyl-1-prop-2-enylpyrrolidine-2,3-dione is sourced from PubChem (CID 2890288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).