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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Related Compounds

5-methoxy-2-{[2-(trifluoromethyl)morpholin-4-yl]methyl}-4H-pyran-4-one
CID 56871732
3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
5-methoxy-2-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]pyran-4-one
CID 95551731
5-methoxy-2-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]pyran-4-one
CID 95551732
2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one
CID 138024141
2-Methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one
CID 138026249
4-[(E)-4-oxopent-2-enyl]morpholin-3-one
CID 118400708
2,3-Dihydrofuran-5-yl-(4-methylpiperazin-1-yl)methanone
CID 143306085
ethyl 4-(5-methoxy-4-oxo-4H-pyran-2-carbonyl)piperazine-1-carboxylate
CID 52899706
2-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methoxy-4H-pyran-4-one
CID 70773826
(Z)-2-hydroxy-1-morpholin-4-ylpent-2-ene-1,4-dione
CID 71474277
1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 71871542

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).