1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione

C15H18N2O3 — CID 2947986

IUPAC1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H18N2O3/c18-14-10-13(16-6-8-20-9-7-16)15(19)17(14)11-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyCONRTCKJBYUDAD-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.65
Rot. Bonds3

About 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione

1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 2947986) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID2947986
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H18N2O3/c18-14-10-13(16-6-8-20-9-7-16)15(19)17(14)11-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyCONRTCKJBYUDAD-UHFFFAOYSA-N
XLogP0.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 2947986) is 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione is O=C1CC(N2CCOCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is CONRTCKJBYUDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-10-13(16-6-8-20-9-7-16)15(19)17(14)11-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2947986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).