5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one

C10H15NO4 — CID 79021272

IUPAC5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one
SMILESCN(C)CCOc1coc(CO)cc1=O
InChIInChI=1S/C10H15NO4/c1-11(2)3-4-14-10-7-15-8(6-12)5-9(10)13/h5,7,12H,3-4,6H2,1-2H3
InChIKeyRPXVKCAUGHEMCC-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.07
Rot. Bonds5

About 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one

5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one (PubChem CID 79021272) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one
PubChem CID79021272
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one
SMILESCN(C)CCOc1coc(CO)cc1=O
InChIInChI=1S/C10H15NO4/c1-11(2)3-4-14-10-7-15-8(6-12)5-9(10)13/h5,7,12H,3-4,6H2,1-2H3
InChIKeyRPXVKCAUGHEMCC-UHFFFAOYSA-N
XLogP0.07
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one (CID 79021272) is 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one is CN(C)CCOc1coc(CO)cc1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one?
The InChIKey is RPXVKCAUGHEMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-11(2)3-4-14-10-7-15-8(6-12)5-9(10)13/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one?
5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one has a molecular weight of 213.23 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 79021272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).