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

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Related Compounds

2'-benzylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydro-3aH-isoindole]-1',3'-dione
CID 3103786
2-(1,4-dioxaspiro[4.5]dec-6-yl)-N-(1-phenylethyl)acetamide
CID 86002440
3(S)-(3-Fluorophenyl)-3-(3-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-2-oxo-pyrrolidin-1-yl)-propionic acid ethyl ester
CID 15453760
1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-one
CID 59951846
1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
CID 59963910
Ethyl 3-(3-fluorophenyl)-3-[3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2-oxopyrrolidin-1-yl]propanoate
CID 70232712
(5R)-1-benzyl-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrrolidin-2-one
CID 10884298
N-benzyl-3-(1,4-dioxaspiro[4.5]dec-6-yl)propionamide
CID 11358583
N-benzyl-3-(1,4-dioxaspiro[4.4]non-6-yl)propionamide
CID 11369751
(5S)-1-benzyl-5-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidin-2-one
CID 53494485
1-[1-(3-Fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-2-one
CID 20642156
1-[1-(3-Fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
CID 20674648

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).