3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C18H17NO3 — CID 646754

IUPAC3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17NO3/c1-22-16-9-7-15(8-10-16)19-17(20)12-14(18(19)21)11-13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3
InChIKeyQSWIEDIFIRWBJJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.82
Rot. Bonds4

About 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 646754) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID646754
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17NO3/c1-22-16-9-7-15(8-10-16)19-17(20)12-14(18(19)21)11-13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3
InChIKeyQSWIEDIFIRWBJJ-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 646754) is 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is QSWIEDIFIRWBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-16-9-7-15(8-10-16)19-17(20)12-14(18(19)21)11-13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3.
What are the key properties of 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 295.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 646754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).