1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone

C8H15NO2 — CID 45086096

IUPAC1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C8H15NO2/c1-6-4-9(8(3)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7+
InChIKeyITBIIJTXOBWJPI-KNVOCYPGSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds

About 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone

1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 45086096) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID45086096
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C8H15NO2/c1-6-4-9(8(3)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7+
InChIKeyITBIIJTXOBWJPI-KNVOCYPGSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10607034
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CID 532132
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CID 4143920
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CID 19080228
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone (CID 45086096) is 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone is CC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is ITBIIJTXOBWJPI-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-9(8(3)10)5-7(2)11-6/h6-7H,4-5H2,1-3H3/t6-,7+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone?
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 45086096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).