4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C25H23NO3 — CID 123719821

IUPAC4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(Cc3ccc(C)cc3)C2)c2c1oc1ccccc12
InChIInChI=1S/C25H23NO3/c1-16-7-9-17(10-8-16)14-26-15-18(13-23(26)27)19-11-12-22(28-2)25-24(19)20-5-3-4-6-21(20)29-25/h3-12,18H,13-15H2,1-2H3
InChIKeyXTAZNXFIQQNBNG-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.42
Rot. Bonds4

About 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 123719821) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID123719821
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(Cc3ccc(C)cc3)C2)c2c1oc1ccccc12
InChIInChI=1S/C25H23NO3/c1-16-7-9-17(10-8-16)14-26-15-18(13-23(26)27)19-11-12-22(28-2)25-24(19)20-5-3-4-6-21(20)29-25/h3-12,18H,13-15H2,1-2H3
InChIKeyXTAZNXFIQQNBNG-UHFFFAOYSA-N
XLogP5.42
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 123719821) is 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is COc1ccc(C2CC(=O)N(Cc3ccc(C)cc3)C2)c2c1oc1ccccc12.
What is the InChIKey of 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is XTAZNXFIQQNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-16-7-9-17(10-8-16)14-26-15-18(13-23(26)27)19-11-12-22(28-2)25-24(19)20-5-3-4-6-21(20)29-25/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 385.46 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxydibenzofuran-1-yl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 123719821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).