5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one

C12H15NO5 — CID 146086749

IUPAC5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCOC(C)C2)cc1=O
InChIInChI=1S/C12H15NO5/c1-8-6-13(3-4-17-8)12(15)10-5-9(14)11(16-2)7-18-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyAVETVYGJKWHDHK-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.51
Rot. Bonds2

About 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one

5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one (PubChem CID 146086749) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one
PubChem CID146086749
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCOC(C)C2)cc1=O
InChIInChI=1S/C12H15NO5/c1-8-6-13(3-4-17-8)12(15)10-5-9(14)11(16-2)7-18-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyAVETVYGJKWHDHK-UHFFFAOYSA-N
XLogP0.51
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one (CID 146086749) is 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one is COc1coc(C(=O)N2CCOC(C)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one?
The InChIKey is AVETVYGJKWHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8-6-13(3-4-17-8)12(15)10-5-9(14)11(16-2)7-18-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one?
5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one has a molecular weight of 253.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylmorpholine-4-carbonyl)pyran-4-one is sourced from PubChem (CID 146086749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).