1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione

C9H15NO3 — CID 131176238

IUPAC1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
SMILESCC(=O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C9H15NO3/c1-6-4-10(5-7(2)13-6)9(12)8(3)11/h6-7H,4-5H2,1-3H3
InChIKeyJSEZLLITLBXQTE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.21
Rot. Bonds1

About 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione

1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione (PubChem CID 131176238) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
PubChem CID131176238
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione
SMILESCC(=O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C9H15NO3/c1-6-4-10(5-7(2)13-6)9(12)8(3)11/h6-7H,4-5H2,1-3H3
InChIKeyJSEZLLITLBXQTE-UHFFFAOYSA-N
XLogP0.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione (CID 131176238) is 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione is CC(=O)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione?
The InChIKey is JSEZLLITLBXQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-4-10(5-7(2)13-6)9(12)8(3)11/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione?
1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione has a molecular weight of 185.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)propane-1,2-dione is sourced from PubChem (CID 131176238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).