3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione

C13H16N2O3 — CID 2858584

IUPAC3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(CNC2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-15-12(16)7-11(13(15)17)14-8-9-3-5-10(18-2)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyRWSWJRKORRQJIN-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.54
Rot. Bonds4

About 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione

3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 2858584) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID2858584
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(CNC2CC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-15-12(16)7-11(13(15)17)14-8-9-3-5-10(18-2)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKeyRWSWJRKORRQJIN-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
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-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione (CID 2858584) is 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione is COc1ccc(CNC2CC(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is RWSWJRKORRQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-12(16)7-11(13(15)17)14-8-9-3-5-10(18-2)6-4-9/h3-6,11,14H,7-8H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione?
3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 2858584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).