2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

C12H23NO3 — CID 102737661

IUPAC2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCOC(C)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-9(15-6)10(14)13-7-11(2,3)16-12(4,5)8-13/h9H,7-8H2,1-6H3
InChIKeyMDJOEWFTEMNIGO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds2

About 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (PubChem CID 102737661) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
PubChem CID102737661
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCOC(C)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-9(15-6)10(14)13-7-11(2,3)16-12(4,5)8-13/h9H,7-8H2,1-6H3
InChIKeyMDJOEWFTEMNIGO-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (CID 102737661) is 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is COC(C)C(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The InChIKey is MDJOEWFTEMNIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(15-6)10(14)13-7-11(2,3)16-12(4,5)8-13/h9H,7-8H2,1-6H3.
What are the key properties of 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one has a molecular weight of 229.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 102737661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).