3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione

C19H17NO4 — CID 15149331

IUPAC3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
SMILESCOc1ccc(CN2CC(=O)C(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17NO4/c1-24-15-9-7-13(8-10-15)11-20-12-16(21)17(19(20)23)18(22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyYMTAQUUZPXTQLE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.11
Rot. Bonds5

About 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione

3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione (PubChem CID 15149331) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
PubChem CID15149331
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
SMILESCOc1ccc(CN2CC(=O)C(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17NO4/c1-24-15-9-7-13(8-10-15)11-20-12-16(21)17(19(20)23)18(22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyYMTAQUUZPXTQLE-UHFFFAOYSA-N
XLogP2.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
The IUPAC name of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione (CID 15149331) is 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
The canonical SMILES for 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione is COc1ccc(CN2CC(=O)C(C(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
The InChIKey is YMTAQUUZPXTQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-24-15-9-7-13(8-10-15)11-20-12-16(21)17(19(20)23)18(22)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3.
What are the key properties of 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione?
3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 15149331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).