1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione

C27H25NO3 — CID 122459533

IUPAC1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCC1(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO3/c29-24-17-18-25(30)28(24)20-10-19-26(21-11-4-1-5-12-21)27(31-26,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16H,10,17-20H2
InChIKeyUHBDCNRHVMPZEQ-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.79
Rot. Bonds7

About 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione

1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione (PubChem CID 122459533) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione
PubChem CID122459533
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCC1(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25NO3/c29-24-17-18-25(30)28(24)20-10-19-26(21-11-4-1-5-12-21)27(31-26,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16H,10,17-20H2
InChIKeyUHBDCNRHVMPZEQ-UHFFFAOYSA-N
XLogP4.79
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.79
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'}

Analyze 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-1-[(E)-but-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 9979851
tert-butyl (5S)-2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 11144938
(5S)-1-[(E)-hept-2-enoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10994288
5,5-Diphenyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 134852879
1-(2-Butenoyl)-5-((trityloxy)methyl)-2-pyrrolidinone
CID 5895302
(5S)-1-[(2E)-hepta-2,6-dienoyl]-5-(trityloxymethyl)pyrrolidin-2-one
CID 10766602
Tert-butyl 2-oxo-5-(trityloxymethyl)pyrrolidine-1-carboxylate
CID 14352716
1-(3-Phenylpropyl)-4-(trityloxymethyl)pyrrolidin-2-one
CID 23359653
1-(3-Phenylpropyl)-3-prop-2-enyl-4-(trityloxymethyl)pyrrolidin-2-one
CID 23359777
1-(3-Phenylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one
CID 23360218
1-(2-Methylpropyl)-5-(trityloxymethyl)pyrrolidin-2-one
CID 23360228
1-Methyl-5-(trityloxymethyl)pyrrolidin-2-one
CID 23360298

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione (CID 122459533) is 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCC1(c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione?
The InChIKey is UHBDCNRHVMPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c29-24-17-18-25(30)28(24)20-10-19-26(21-11-4-1-5-12-21)27(31-26,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16H,10,17-20H2.
What are the key properties of 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione?
1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione has a molecular weight of 411.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,3-triphenyloxiran-2-yl)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 122459533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).