3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione

C13H15NO3 — CID 43155388

IUPAC3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1C1(C)CC(=O)NC1=O
InChIInChI=1S/C13H15NO3/c1-8-4-5-10(17-3)9(6-8)13(2)7-11(15)14-12(13)16/h4-6H,7H2,1-3H3,(H,14,15,16)
InChIKeyDZSHFMWQSWKCAH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione

3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 43155388) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID43155388
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1C1(C)CC(=O)NC1=O
InChIInChI=1S/C13H15NO3/c1-8-4-5-10(17-3)9(6-8)13(2)7-11(15)14-12(13)16/h4-6H,7H2,1-3H3,(H,14,15,16)
InChIKeyDZSHFMWQSWKCAH-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione (CID 43155388) is 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione is COc1ccc(C)cc1C1(C)CC(=O)NC1=O.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is DZSHFMWQSWKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-4-5-10(17-3)9(6-8)13(2)7-11(15)14-12(13)16/h4-6H,7H2,1-3H3,(H,14,15,16).
What are the key properties of 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione?
3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43155388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).