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

C10H15NO5 — CID 60686429

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESO=c1cc(CN(CCO)CCO)occ1O
InChIInChI=1S/C10H15NO5/c12-3-1-11(2-4-13)6-8-5-9(14)10(15)7-16-8/h5,7,12-13,15H,1-4,6H2
InChIKeyQOYYKEZFFSUZRG-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.87
Rot. Bonds6

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

2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one (PubChem CID 60686429) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
PubChem CID60686429
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
SMILESO=c1cc(CN(CCO)CCO)occ1O
InChIInChI=1S/C10H15NO5/c12-3-1-11(2-4-13)6-8-5-9(14)10(15)7-16-8/h5,7,12-13,15H,1-4,6H2
InChIKeyQOYYKEZFFSUZRG-UHFFFAOYSA-N
XLogP-0.87
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one (CID 60686429) is 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one is O=c1cc(CN(CCO)CCO)occ1O.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
The InChIKey is QOYYKEZFFSUZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-3-1-11(2-4-13)6-8-5-9(14)10(15)7-16-8/h5,7,12-13,15H,1-4,6H2.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one?
2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one has a molecular weight of 229.23 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one is sourced from PubChem (CID 60686429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).