(4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione

C17H11NO3 — CID 137171131

IUPAC(4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione
SMILESO=C1N=C(c2ccccc2)/C(=C(\O)c2ccccc2)C1=O
InChIInChI=1S/C17H11NO3/c19-15(12-9-5-2-6-10-12)13-14(18-17(21)16(13)20)11-7-3-1-4-8-11/h1-10,19H/b15-13+
InChIKeyUAIUTDUNHTZTAM-FYWRMAATSA-N
MW277.28 g/mol
LogP2.55
Rot. Bonds2

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

(4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione (PubChem CID 137171131) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is (4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione.

Molecular Properties

Compound Name(4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione
PubChem CID137171131
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name(4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione
SMILESO=C1N=C(c2ccccc2)/C(=C(\O)c2ccccc2)C1=O
InChIInChI=1S/C17H11NO3/c19-15(12-9-5-2-6-10-12)13-14(18-17(21)16(13)20)11-7-3-1-4-8-11/h1-10,19H/b15-13+
InChIKeyUAIUTDUNHTZTAM-FYWRMAATSA-N
XLogP2.55
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.55
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]-5-phenylpyrrole-2,3-dione?
The IUPAC name of (4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione (CID 137171131) is (4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione.
What is the SMILES notation for (4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione?
The canonical SMILES for (4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione is O=C1N=C(c2ccccc2)/C(=C(\O)c2ccccc2)C1=O.
What is the InChIKey of (4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione?
The InChIKey is UAIUTDUNHTZTAM-FYWRMAATSA-N. The full InChI is InChI=1S/C17H11NO3/c19-15(12-9-5-2-6-10-12)13-14(18-17(21)16(13)20)11-7-3-1-4-8-11/h1-10,19H/b15-13+.
What are the key properties of (4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione?
(4E)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrole-2,3-dione has a molecular weight of 277.28 g/mol, XLogP of 2.55, 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]-5-phenylpyrrole-2,3-dione is sourced from PubChem (CID 137171131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).