1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one

C10H19NO3 — CID 48521768

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C10H19NO3/c1-8(13-4)9(12)11-5-6-14-7-10(11,2)3/h8H,5-7H2,1-4H3
InChIKeyGQNQRXSEMUBUJL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds2

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

1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one (PubChem CID 48521768) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
PubChem CID48521768
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCOCC1(C)C
InChIInChI=1S/C10H19NO3/c1-8(13-4)9(12)11-5-6-14-7-10(11,2)3/h8H,5-7H2,1-4H3
InChIKeyGQNQRXSEMUBUJL-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
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-methoxypropan-1-one?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one (CID 48521768) is 1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one?
The InChIKey is GQNQRXSEMUBUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(13-4)9(12)11-5-6-14-7-10(11,2)3/h8H,5-7H2,1-4H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one?
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.66, 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-methoxypropan-1-one is sourced from PubChem (CID 48521768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).