5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one

C9H13NO4 — CID 60683914

IUPAC5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one
SMILESCN(CCO)Cc1cc(=O)c(O)co1
InChIInChI=1S/C9H13NO4/c1-10(2-3-11)5-7-4-8(12)9(13)6-14-7/h4,6,11,13H,2-3,5H2,1H3
InChIKeyDQTPKDNEGFJJRD-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.23
Rot. Bonds4

About 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one

5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one (PubChem CID 60683914) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one
PubChem CID60683914
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one
SMILESCN(CCO)Cc1cc(=O)c(O)co1
InChIInChI=1S/C9H13NO4/c1-10(2-3-11)5-7-4-8(12)9(13)6-14-7/h4,6,11,13H,2-3,5H2,1H3
InChIKeyDQTPKDNEGFJJRD-UHFFFAOYSA-N
XLogP-0.23
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one (CID 60683914) is 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one is CN(CCO)Cc1cc(=O)c(O)co1.
What is the InChIKey of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one?
The InChIKey is DQTPKDNEGFJJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-10(2-3-11)5-7-4-8(12)9(13)6-14-7/h4,6,11,13H,2-3,5H2,1H3.
What are the key properties of 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one has a molecular weight of 199.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one is sourced from PubChem (CID 60683914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).