3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione

C16H20N2O3 — CID 649651

IUPAC3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C16H20N2O3/c19-15-12-14(17-8-10-21-11-9-17)16(20)18(15)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyFUYDIJQDGWAJKZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.69
Rot. Bonds4

About 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione

3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 649651) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID649651
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C16H20N2O3/c19-15-12-14(17-8-10-21-11-9-17)16(20)18(15)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyFUYDIJQDGWAJKZ-UHFFFAOYSA-N
XLogP0.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.69
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 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 649651) is 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione is O=C1CC(N2CCOCC2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is FUYDIJQDGWAJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-12-14(17-8-10-21-11-9-17)16(20)18(15)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 649651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).