(2S,6R)-2,6-dimethylmorpholin-3-one

C6H11NO2 — CID 55287157

IUPAC(2S,6R)-2,6-dimethylmorpholin-3-one
SMILESC[C@@H]1CNC(=O)[C@H](C)O1
InChIInChI=1S/C6H11NO2/c1-4-3-7-6(8)5(2)9-4/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m1/s1
InChIKeyCJOJYCRMCKNQNN-UHNVWZDZSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds

About (2S,6R)-2,6-dimethylmorpholin-3-one

(2S,6R)-2,6-dimethylmorpholin-3-one (PubChem CID 55287157) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylmorpholin-3-one.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylmorpholin-3-one
PubChem CID55287157
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S,6R)-2,6-dimethylmorpholin-3-one
SMILESC[C@@H]1CNC(=O)[C@H](C)O1
InChIInChI=1S/C6H11NO2/c1-4-3-7-6(8)5(2)9-4/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m1/s1
InChIKeyCJOJYCRMCKNQNN-UHNVWZDZSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylmorpholin-3-one?
The IUPAC name of (2S,6R)-2,6-dimethylmorpholin-3-one (CID 55287157) is (2S,6R)-2,6-dimethylmorpholin-3-one.
What is the SMILES notation for (2S,6R)-2,6-dimethylmorpholin-3-one?
The canonical SMILES for (2S,6R)-2,6-dimethylmorpholin-3-one is C[C@@H]1CNC(=O)[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethylmorpholin-3-one?
The InChIKey is CJOJYCRMCKNQNN-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-3-7-6(8)5(2)9-4/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5+/m1/s1.
What are the key properties of (2S,6R)-2,6-dimethylmorpholin-3-one?
(2S,6R)-2,6-dimethylmorpholin-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylmorpholin-3-one is sourced from PubChem (CID 55287157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).