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

C19H27NO3 — CID 59951644

IUPAC(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC[C@@H]1C[C@H](CCC2(C)OCCO2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H27NO3/c1-3-17-13-16(9-10-19(2)22-11-12-23-19)18(21)20(17)14-15-7-5-4-6-8-15/h4-8,16-17H,3,9-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyQGWZSOLQUUTPBA-DLBZAZTESA-N
MW317.43 g/mol
LogP3.36
Rot. Bonds6

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

(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 59951644) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
PubChem CID59951644
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC[C@@H]1C[C@H](CCC2(C)OCCO2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H27NO3/c1-3-17-13-16(9-10-19(2)22-11-12-23-19)18(21)20(17)14-15-7-5-4-6-8-15/h4-8,16-17H,3,9-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyQGWZSOLQUUTPBA-DLBZAZTESA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
(2S,4R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)pentane-1,3-dione
CID 11143282
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
alpha-Pyrrolidone, N-benzyl-5-[5,5-dimethoxy-1-hexyl]-
CID 563060

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (CID 59951644) is (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is CC[C@@H]1C[C@H](CCC2(C)OCCO2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is QGWZSOLQUUTPBA-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-17-13-16(9-10-19(2)22-11-12-23-19)18(21)20(17)14-15-7-5-4-6-8-15/h4-8,16-17H,3,9-14H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 59951644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).