3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione

C13H15NO4 — CID 3050266

IUPAC3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(C2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H15NO4/c1-14-12(15)7-11(13(14)16)8-4-9(17-2)6-10(5-8)18-3/h4-6,11H,7H2,1-3H3
InChIKeyFNHGARBWPDUGJY-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.18
Rot. Bonds3

About 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione

3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 3050266) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID3050266
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(C2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H15NO4/c1-14-12(15)7-11(13(14)16)8-4-9(17-2)6-10(5-8)18-3/h4-6,11H,7H2,1-3H3
InChIKeyFNHGARBWPDUGJY-UHFFFAOYSA-N
XLogP1.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.18
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-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione (CID 3050266) is 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione is COc1cc(OC)cc(C2CC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is FNHGARBWPDUGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14-12(15)7-11(13(14)16)8-4-9(17-2)6-10(5-8)18-3/h4-6,11H,7H2,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione?
3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 3050266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).