1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione

C20H19NO3 — CID 122459417

IUPAC1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-18-11-12-19(23)21(18)14-13-17-20(24-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyPTRZWFSKTWNUFE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.87
Rot. Bonds5

About 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 122459417) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID122459417
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCC1OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-18-11-12-19(23)21(18)14-13-17-20(24-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKeyPTRZWFSKTWNUFE-UHFFFAOYSA-N
XLogP2.87
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione (CID 122459417) is 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCC1OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is PTRZWFSKTWNUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-18-11-12-19(23)21(18)14-13-17-20(24-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2.
What are the key properties of 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 321.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-diphenyloxiran-2-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122459417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).