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

C13H15NO3 — CID 101365658

IUPAC(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc([C@@H]2CC(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C13H15NO3/c1-8-6-9(17-3)4-5-10(8)11-7-12(15)14(2)13(11)16/h4-6,11H,7H2,1-3H3/t11-/m0/s1
InChIKeyWWSUSIIHTRKJMQ-NSHDSACASA-N
MW233.27 g/mol
LogP1.48
Rot. Bonds2

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

(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione (PubChem CID 101365658) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
PubChem CID101365658
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
SMILESCOc1ccc([C@@H]2CC(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C13H15NO3/c1-8-6-9(17-3)4-5-10(8)11-7-12(15)14(2)13(11)16/h4-6,11H,7H2,1-3H3/t11-/m0/s1
InChIKeyWWSUSIIHTRKJMQ-NSHDSACASA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.48
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 (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione (CID 101365658) is (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione is COc1ccc([C@@H]2CC(=O)N(C)C2=O)c(C)c1.
What is the InChIKey of (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is WWSUSIIHTRKJMQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-6-9(17-3)4-5-10(8)11-7-12(15)14(2)13(11)16/h4-6,11H,7H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione?
(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 101365658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).