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

C9H11NO5 — CID 79021216

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C9H11NO5/c1-10-9(13)5-15-8-4-14-6(3-11)2-7(8)12/h2,4,11H,3,5H2,1H3,(H,10,13)
InChIKeyHUOLACQHGOZRKC-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.74
Rot. Bonds4

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

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide (PubChem CID 79021216) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
PubChem CID79021216
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C9H11NO5/c1-10-9(13)5-15-8-4-14-6(3-11)2-7(8)12/h2,4,11H,3,5H2,1H3,(H,10,13)
InChIKeyHUOLACQHGOZRKC-UHFFFAOYSA-N
XLogP-0.74
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[6-(Hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79002301
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-propylacetamide
CID 79021217
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
5-[2-(Dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one
CID 79021272
N-butyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021326

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide (CID 79021216) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide is CNC(=O)COc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
The InChIKey is HUOLACQHGOZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-10-9(13)5-15-8-4-14-6(3-11)2-7(8)12/h2,4,11H,3,5H2,1H3,(H,10,13).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-methylacetamide has a molecular weight of 213.19 g/mol, XLogP of -0.74, 4 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-methylacetamide is sourced from PubChem (CID 79021216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).