1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione

C19H19NO3 — CID 90305017

IUPAC1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CCC2=O)cc1-c1cccc(C)c1
InChIInChI=1S/C19H19NO3/c1-13-4-3-5-15(10-13)16-11-14(6-7-17(16)23-2)12-20-18(21)8-9-19(20)22/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyCLSVLDPCEQJYTO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.32
Rot. Bonds4

About 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 90305017) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID90305017
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)CCC2=O)cc1-c1cccc(C)c1
InChIInChI=1S/C19H19NO3/c1-13-4-3-5-15(10-13)16-11-14(6-7-17(16)23-2)12-20-18(21)8-9-19(20)22/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyCLSVLDPCEQJYTO-UHFFFAOYSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.32
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 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione (CID 90305017) is 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione is COc1ccc(CN2C(=O)CCC2=O)cc1-c1cccc(C)c1.
What is the InChIKey of 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is CLSVLDPCEQJYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-4-3-5-15(10-13)16-11-14(6-7-17(16)23-2)12-20-18(21)8-9-19(20)22/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 309.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(3-methylphenyl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90305017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).