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

C24H29NO3 — CID 18394779

IUPAC(3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CC[C@H]2C[C@@H](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/t21-,22+/m0/s1
InChIKeyKRIBZWGFPQCHBO-FCHUYYIVSA-N
MW379.50 g/mol
LogP4.19
Rot. Bonds7

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

(3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 18394779) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
PubChem CID18394779
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CC[C@H]2C[C@@H](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/t21-,22+/m0/s1
InChIKeyKRIBZWGFPQCHBO-FCHUYYIVSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (CID 18394779) is (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is CC1(CC[C@H]2C[C@@H](Cc3ccccc3)N(Cc3ccccc3)C2=O)OCCO1.
What is the InChIKey of (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is KRIBZWGFPQCHBO-FCHUYYIVSA-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/t21-,22+/m0/s1.
What are the key properties of (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
(3S,5S)-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 (3S,5S)-1,5-dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 18394779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).