2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one

C13H17NO6 — CID 79868883

IUPAC2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one
SMILESCC(Oc1coc(CO)cc1=O)C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO6/c1-9(13(17)14-2-4-18-5-3-14)20-12-8-19-10(7-15)6-11(12)16/h6,8-9,15H,2-5,7H2,1H3
InChIKeyIGIWQVGGOUONGB-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.24
Rot. Bonds4

About 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one

2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one (PubChem CID 79868883) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one
PubChem CID79868883
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one
SMILESCC(Oc1coc(CO)cc1=O)C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO6/c1-9(13(17)14-2-4-18-5-3-14)20-12-8-19-10(7-15)6-11(12)16/h6,8-9,15H,2-5,7H2,1H3
InChIKeyIGIWQVGGOUONGB-UHFFFAOYSA-N
XLogP-0.24
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one (CID 79868883) is 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one is CC(Oc1coc(CO)cc1=O)C(=O)N1CCOCC1.
What is the InChIKey of 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one?
The InChIKey is IGIWQVGGOUONGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-9(13(17)14-2-4-18-5-3-14)20-12-8-19-10(7-15)6-11(12)16/h6,8-9,15H,2-5,7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one?
2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one has a molecular weight of 283.28 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(1-morpholin-4-yl-1-oxopropan-2-yl)oxypyran-4-one is sourced from PubChem (CID 79868883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).