2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one

C10H15NO4 — CID 60685805

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCCN(CCO)Cc1cc(=O)c(O)co1
InChIInChI=1S/C10H15NO4/c1-2-11(3-4-12)6-8-5-9(13)10(14)7-15-8/h5,7,12,14H,2-4,6H2,1H3
InChIKeyJATIBAUYYSZJMY-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.16
Rot. Bonds5

About 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one

2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one (PubChem CID 60685805) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
PubChem CID60685805
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESCCN(CCO)Cc1cc(=O)c(O)co1
InChIInChI=1S/C10H15NO4/c1-2-11(3-4-12)6-8-5-9(13)10(14)7-15-8/h5,7,12,14H,2-4,6H2,1H3
InChIKeyJATIBAUYYSZJMY-UHFFFAOYSA-N
XLogP0.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one (CID 60685805) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one is CCN(CCO)Cc1cc(=O)c(O)co1.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
The InChIKey is JATIBAUYYSZJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-11(3-4-12)6-8-5-9(13)10(14)7-15-8/h5,7,12,14H,2-4,6H2,1H3.
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one has a molecular weight of 213.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 60685805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).