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

C11H19NO3 — CID 18394796

IUPAC(3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](CCC2(C)OCCO2)C(=O)N1
InChIInChI=1S/C11H19NO3/c1-8-7-9(10(13)12-8)3-4-11(2)14-5-6-15-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyTUXVSDADBJEHTC-BDAKNGLRSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds3

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

(3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 18394796) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
PubChem CID18394796
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESC[C@@H]1C[C@H](CCC2(C)OCCO2)C(=O)N1
InChIInChI=1S/C11H19NO3/c1-8-7-9(10(13)12-8)3-4-11(2)14-5-6-15-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyTUXVSDADBJEHTC-BDAKNGLRSA-N
XLogP1.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (CID 18394796) is (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is C[C@@H]1C[C@H](CCC2(C)OCCO2)C(=O)N1.
What is the InChIKey of (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is TUXVSDADBJEHTC-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-7-9(10(13)12-8)3-4-11(2)14-5-6-15-11/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
(3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 18394796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).