2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide

C8H9NO5 — CID 79002301

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C8H9NO5/c9-8(12)4-14-7-3-13-5(2-10)1-6(7)11/h1,3,10H,2,4H2,(H2,9,12)
InChIKeyHLKPTCFMIKXOEW-UHFFFAOYSA-N
MW199.16 g/mol
LogP-1.00
Rot. Bonds4

About 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 79002301) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID79002301
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESNC(=O)COc1coc(CO)cc1=O
InChIInChI=1S/C8H9NO5/c9-8(12)4-14-7-3-13-5(2-10)1-6(7)11/h1,3,10H,2,4H2,(H2,9,12)
InChIKeyHLKPTCFMIKXOEW-UHFFFAOYSA-N
XLogP-1.00
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide (CID 79002301) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide is NC(=O)COc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is HLKPTCFMIKXOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c9-8(12)4-14-7-3-13-5(2-10)1-6(7)11/h1,3,10H,2,4H2,(H2,9,12).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 199.16 g/mol, XLogP of -1.00, 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]oxyacetamide is sourced from PubChem (CID 79002301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).