1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione

C12H13NO3 — CID 59172807

IUPAC1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCON1C(=O)CC(c2ccc(C)cc2)C1=O
InChIInChI=1S/C12H13NO3/c1-8-3-5-9(6-4-8)10-7-11(14)13(16-2)12(10)15/h3-6,10H,7H2,1-2H3
InChIKeyAAYPGJICMOROBQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.40
Rot. Bonds2

About 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione

1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 59172807) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID59172807
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCON1C(=O)CC(c2ccc(C)cc2)C1=O
InChIInChI=1S/C12H13NO3/c1-8-3-5-9(6-4-8)10-7-11(14)13(16-2)12(10)15/h3-6,10H,7H2,1-2H3
InChIKeyAAYPGJICMOROBQ-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione (CID 59172807) is 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione is CON1C(=O)CC(c2ccc(C)cc2)C1=O.
What is the InChIKey of 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is AAYPGJICMOROBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-3-5-9(6-4-8)10-7-11(14)13(16-2)12(10)15/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione?
1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59172807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).