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

C11H13NO5 — CID 91823098

IUPAC5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCOCC2)cc1=O
InChIInChI=1S/C11H13NO5/c1-15-10-7-17-9(6-8(10)13)11(14)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyNBOBWBGUIYSILA-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.12
Rot. Bonds2

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

5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one (PubChem CID 91823098) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one
PubChem CID91823098
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCOCC2)cc1=O
InChIInChI=1S/C11H13NO5/c1-15-10-7-17-9(6-8(10)13)11(14)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3
InChIKeyNBOBWBGUIYSILA-UHFFFAOYSA-N
XLogP0.12
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one (CID 91823098) is 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one is COc1coc(C(=O)N2CCOCC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one?
The InChIKey is NBOBWBGUIYSILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-10-7-17-9(6-8(10)13)11(14)12-2-4-16-5-3-12/h6-7H,2-5H2,1H3.
What are the key properties of 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one?
5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one has a molecular weight of 239.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(morpholine-4-carbonyl)pyran-4-one is sourced from PubChem (CID 91823098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).