5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione

C17H15NO3 — CID 170182433

IUPAC5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(c2cccc(COc3ccccc3)c2)N1
InChIInChI=1S/C17H15NO3/c19-15-10-16(20)18-17(15)13-6-4-5-12(9-13)11-21-14-7-2-1-3-8-14/h1-9,17H,10-11H2,(H,18,20)
InChIKeyILDKXDYWATWSEQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.40
Rot. Bonds4

About 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione

5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione (PubChem CID 170182433) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione
PubChem CID170182433
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(c2cccc(COc3ccccc3)c2)N1
InChIInChI=1S/C17H15NO3/c19-15-10-16(20)18-17(15)13-6-4-5-12(9-13)11-21-14-7-2-1-3-8-14/h1-9,17H,10-11H2,(H,18,20)
InChIKeyILDKXDYWATWSEQ-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione?
The IUPAC name of 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione (CID 170182433) is 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione?
The canonical SMILES for 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione is O=C1CC(=O)C(c2cccc(COc3ccccc3)c2)N1.
What is the InChIKey of 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione?
The InChIKey is ILDKXDYWATWSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-15-10-16(20)18-17(15)13-6-4-5-12(9-13)11-21-14-7-2-1-3-8-14/h1-9,17H,10-11H2,(H,18,20).
What are the key properties of 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione?
5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 170182433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).