1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one

C10H19NO2 — CID 6554044

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C10H19NO2/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h7-9H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyMLYXDQMIWOFCIM-RKDXNWHRSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds1

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one (PubChem CID 6554044) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
PubChem CID6554044
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C10H19NO2/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h7-9H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyMLYXDQMIWOFCIM-RKDXNWHRSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one (CID 6554044) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one is CC(C)C(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is MLYXDQMIWOFCIM-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h7-9H,5-6H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 6554044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).