1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one

C24H29NO3 — CID 22008780

IUPAC1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CCC2CC(Cc3ccccc3)N(Cc3ccccc3)C2=O)OCCO1
InChIInChI=1S/C24H29NO3/c1-24(27-14-15-28-24)13-12-21-17-22(16-19-8-4-2-5-9-19)25(23(21)26)18-20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3
InChIKeyKRIBZWGFPQCHBO-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.19
Rot. Bonds7

About 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one

1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 22008780) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
PubChem CID22008780
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CCC2CC(Cc3ccccc3)N(Cc3ccccc3)C2=O)OCCO1
InChIInChI=1S/C24H29NO3/c1-24(27-14-15-28-24)13-12-21-17-22(16-19-8-4-2-5-9-19)25(23(21)26)18-20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3
InChIKeyKRIBZWGFPQCHBO-UHFFFAOYSA-N
XLogP4.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (CID 22008780) is 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is CC1(CCC2CC(Cc3ccccc3)N(Cc3ccccc3)C2=O)OCCO1.
What is the InChIKey of 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is KRIBZWGFPQCHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-24(27-14-15-28-24)13-12-21-17-22(16-19-8-4-2-5-9-19)25(23(21)26)18-20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3.
What are the key properties of 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 379.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 22008780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).