1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

C15H18N2O3 — CID 2827709

IUPAC1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCOCC3)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-11-3-2-4-12(9-11)17-14(18)10-13(15(17)19)16-5-7-20-8-6-16/h2-4,9,13H,5-8,10H2,1H3
InChIKeyJCXLGPXUXUJQLW-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds2

About 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione

1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 2827709) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID2827709
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCOCC3)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-11-3-2-4-12(9-11)17-14(18)10-13(15(17)19)16-5-7-20-8-6-16/h2-4,9,13H,5-8,10H2,1H3
InChIKeyJCXLGPXUXUJQLW-UHFFFAOYSA-N
XLogP0.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
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-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 2827709) is 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N3CCOCC3)C2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is JCXLGPXUXUJQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-3-2-4-12(9-11)17-14(18)10-13(15(17)19)16-5-7-20-8-6-16/h2-4,9,13H,5-8,10H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2827709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).