(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one

C11H20N2O2 — CID 67157650

IUPAC(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C[C@@H]2CCC(=O)N2)C[C@H](C)O1
InChIInChI=1S/C11H20N2O2/c1-8-5-13(6-9(2)15-8)7-10-3-4-11(14)12-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9+,10-/m0/s1
InChIKeyXXTHHCBTVGJISY-AEJSXWLSSA-N
MW212.29 g/mol
LogP0.37
Rot. Bonds2

About (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one

(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 67157650) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one
PubChem CID67157650
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C[C@@H]2CCC(=O)N2)C[C@H](C)O1
InChIInChI=1S/C11H20N2O2/c1-8-5-13(6-9(2)15-8)7-10-3-4-11(14)12-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9+,10-/m0/s1
InChIKeyXXTHHCBTVGJISY-AEJSXWLSSA-N
XLogP0.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one (CID 67157650) is (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one is C[C@@H]1CN(C[C@@H]2CCC(=O)N2)C[C@H](C)O1.
What is the InChIKey of (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is XXTHHCBTVGJISY-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-5-13(6-9(2)15-8)7-10-3-4-11(14)12-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9+,10-/m0/s1.
What are the key properties of (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one?
(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 67157650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).