(5S)-4-ethyl-5-methylmorpholin-3-one

C7H13NO2 — CID 59046337

IUPAC(5S)-4-ethyl-5-methylmorpholin-3-one
SMILESCCN1C(=O)COC[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-3-8-6(2)4-10-5-7(8)9/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyZXKRTNPJVWLWGM-LURJTMIESA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

About (5S)-4-ethyl-5-methylmorpholin-3-one

(5S)-4-ethyl-5-methylmorpholin-3-one (PubChem CID 59046337) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (5S)-4-ethyl-5-methylmorpholin-3-one.

Molecular Properties

Compound Name(5S)-4-ethyl-5-methylmorpholin-3-one
PubChem CID59046337
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(5S)-4-ethyl-5-methylmorpholin-3-one
SMILESCCN1C(=O)COC[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-3-8-6(2)4-10-5-7(8)9/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyZXKRTNPJVWLWGM-LURJTMIESA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylmorpholine
CID 15543
4-Methylmorpholin-3-one
CID 11007867
(5R)-5-methylmorpholin-3-one
CID 12400352
(5S)-5-Methylmorpholin-3-one
CID 12400353
3,5-Morpholinedione, 4-methyl-
CID 93687
Methoxyacetic acid, morpholide
CID 532078
(5S)-5-(hydroxymethyl)-4-methylmorpholin-3-one
CID 67078252
(5R)-5-(hydroxymethyl)-4-methylmorpholin-3-one
CID 68949899
4-(Prop-2-yn-1-yl)morpholin-3-one
CID 79467876
5-Methylmorpholin-3-one
CID 12400354
N-ethylmorpholinone
CID 12766108
4-Butylmorpholine-3,5-dione
CID 13156567

Frequently Asked Questions

What is the IUPAC name of (5S)-4-ethyl-5-methylmorpholin-3-one?
The IUPAC name of (5S)-4-ethyl-5-methylmorpholin-3-one (CID 59046337) is (5S)-4-ethyl-5-methylmorpholin-3-one.
What is the SMILES notation for (5S)-4-ethyl-5-methylmorpholin-3-one?
The canonical SMILES for (5S)-4-ethyl-5-methylmorpholin-3-one is CCN1C(=O)COC[C@@H]1C.
What is the InChIKey of (5S)-4-ethyl-5-methylmorpholin-3-one?
The InChIKey is ZXKRTNPJVWLWGM-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-8-6(2)4-10-5-7(8)9/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (5S)-4-ethyl-5-methylmorpholin-3-one?
(5S)-4-ethyl-5-methylmorpholin-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-ethyl-5-methylmorpholin-3-one is sourced from PubChem (CID 59046337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).