1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one

C11H21NO3 — CID 103029179

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C11H21NO3/c1-10(2)8-15-7-6-12(10)9(13)11(3,4)14-5/h6-8H2,1-5H3
InChIKeyYVNUOYICHZRKTN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds2

About 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one

1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 103029179) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID103029179
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C11H21NO3/c1-10(2)8-15-7-6-12(10)9(13)11(3,4)14-5/h6-8H2,1-5H3
InChIKeyYVNUOYICHZRKTN-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one (CID 103029179) is 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is YVNUOYICHZRKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2)8-15-7-6-12(10)9(13)11(3,4)14-5/h6-8H2,1-5H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 215.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103029179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).