(6S)-6-ethyl-6-methylmorpholin-3-one

C7H13NO2 — CID 162867186

IUPAC(6S)-6-ethyl-6-methylmorpholin-3-one
SMILESCC[C@@]1(C)CNC(=O)CO1
InChIInChI=1S/C7H13NO2/c1-3-7(2)5-8-6(9)4-10-7/h3-5H2,1-2H3,(H,8,9)/t7-/m0/s1
InChIKeyIJEQWFCLXUMQSZ-ZETCQYMHSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds1

About (6S)-6-ethyl-6-methylmorpholin-3-one

(6S)-6-ethyl-6-methylmorpholin-3-one (PubChem CID 162867186) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (6S)-6-ethyl-6-methylmorpholin-3-one.

Molecular Properties

Compound Name(6S)-6-ethyl-6-methylmorpholin-3-one
PubChem CID162867186
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(6S)-6-ethyl-6-methylmorpholin-3-one
SMILESCC[C@@]1(C)CNC(=O)CO1
InChIInChI=1S/C7H13NO2/c1-3-7(2)5-8-6(9)4-10-7/h3-5H2,1-2H3,(H,8,9)/t7-/m0/s1
InChIKeyIJEQWFCLXUMQSZ-ZETCQYMHSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-6-methylmorpholin-3-one?
The IUPAC name of (6S)-6-ethyl-6-methylmorpholin-3-one (CID 162867186) is (6S)-6-ethyl-6-methylmorpholin-3-one.
What is the SMILES notation for (6S)-6-ethyl-6-methylmorpholin-3-one?
The canonical SMILES for (6S)-6-ethyl-6-methylmorpholin-3-one is CC[C@@]1(C)CNC(=O)CO1.
What is the InChIKey of (6S)-6-ethyl-6-methylmorpholin-3-one?
The InChIKey is IJEQWFCLXUMQSZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-7(2)5-8-6(9)4-10-7/h3-5H2,1-2H3,(H,8,9)/t7-/m0/s1.
What are the key properties of (6S)-6-ethyl-6-methylmorpholin-3-one?
(6S)-6-ethyl-6-methylmorpholin-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-6-methylmorpholin-3-one is sourced from PubChem (CID 162867186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).