(2S)-2,4-dimethylmorpholin-3-one

C6H11NO2 — CID 163399028

IUPAC(2S)-2,4-dimethylmorpholin-3-one
SMILESC[C@@H]1OCCN(C)C1=O
InChIInChI=1S/C6H11NO2/c1-5-6(8)7(2)3-4-9-5/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyACYNBKQSGGOWJE-YFKPBYRVSA-N
MW129.16 g/mol
LogP-0.14
Rot. Bonds

About (2S)-2,4-dimethylmorpholin-3-one

(2S)-2,4-dimethylmorpholin-3-one (PubChem CID 163399028) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-2,4-dimethylmorpholin-3-one.

Molecular Properties

Compound Name(2S)-2,4-dimethylmorpholin-3-one
PubChem CID163399028
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-2,4-dimethylmorpholin-3-one
SMILESC[C@@H]1OCCN(C)C1=O
InChIInChI=1S/C6H11NO2/c1-5-6(8)7(2)3-4-9-5/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyACYNBKQSGGOWJE-YFKPBYRVSA-N
XLogP-0.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethylmorpholin-3-one?
The IUPAC name of (2S)-2,4-dimethylmorpholin-3-one (CID 163399028) is (2S)-2,4-dimethylmorpholin-3-one.
What is the SMILES notation for (2S)-2,4-dimethylmorpholin-3-one?
The canonical SMILES for (2S)-2,4-dimethylmorpholin-3-one is C[C@@H]1OCCN(C)C1=O.
What is the InChIKey of (2S)-2,4-dimethylmorpholin-3-one?
The InChIKey is ACYNBKQSGGOWJE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-6(8)7(2)3-4-9-5/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2,4-dimethylmorpholin-3-one?
(2S)-2,4-dimethylmorpholin-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethylmorpholin-3-one is sourced from PubChem (CID 163399028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).