3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione

C13H15NO3 — CID 82159054

IUPAC3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1CC1CC(=O)NC1=O
InChIInChI=1S/C13H15NO3/c1-8-3-4-11(17-2)9(5-8)6-10-7-12(15)14-13(10)16/h3-5,10H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyTYLDXZVMVMIXHZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.21
Rot. Bonds3

About 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione

3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 82159054) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID82159054
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1CC1CC(=O)NC1=O
InChIInChI=1S/C13H15NO3/c1-8-3-4-11(17-2)9(5-8)6-10-7-12(15)14-13(10)16/h3-5,10H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyTYLDXZVMVMIXHZ-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.21
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)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 82159054) is 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(C)cc1CC1CC(=O)NC1=O.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is TYLDXZVMVMIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-3-4-11(17-2)9(5-8)6-10-7-12(15)14-13(10)16/h3-5,10H,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione?
3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 1.21, 3 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)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 82159054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).