2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide

C11H15NO5 — CID 79021217

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C11H15NO5/c1-2-3-12-11(15)7-17-10-6-16-8(5-13)4-9(10)14/h4,6,13H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyXGHAUESFPZEZMP-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.04
Rot. Bonds6

About 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide (PubChem CID 79021217) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide
PubChem CID79021217
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C11H15NO5/c1-2-3-12-11(15)7-17-10-6-16-8(5-13)4-9(10)14/h4,6,13H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyXGHAUESFPZEZMP-UHFFFAOYSA-N
XLogP0.04
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Ethylcarbamoyl)-3-hydroxy-4-oxo-pyran-2-carboxylic acid
CID 3010944
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 79869775
2-[(Diethylazaniumyl)methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate
CID 29529863
N-(2-aminoethyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 54696516
3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide
CID 89078883
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide
CID 130410727
Diethyl-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]azanium
CID 4745129
N-cyclohexyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021111
2-(Hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
CID 79021162
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
CID 79021216
N,N-diethyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021269
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)acetamide
CID 79021270

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide (CID 79021217) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide is CCCNC(=O)COc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide?
The InChIKey is XGHAUESFPZEZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-2-3-12-11(15)7-17-10-6-16-8(5-13)4-9(10)14/h4,6,13H,2-3,5,7H2,1H3,(H,12,15).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide has a molecular weight of 241.24 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide is sourced from PubChem (CID 79021217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).