5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one

C10H13NO4 — CID 3318252

IUPAC5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCOCC2)occ1O
InChIInChI=1S/C10H13NO4/c12-9-5-8(15-7-10(9)13)6-11-1-3-14-4-2-11/h5,7,13H,1-4,6H2
InChIKeyIYSJGXVZXRIYPD-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.18
Rot. Bonds2

About 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one

5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one (PubChem CID 3318252) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one
PubChem CID3318252
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCOCC2)occ1O
InChIInChI=1S/C10H13NO4/c12-9-5-8(15-7-10(9)13)6-11-1-3-14-4-2-11/h5,7,13H,1-4,6H2
InChIKeyIYSJGXVZXRIYPD-UHFFFAOYSA-N
XLogP0.18
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-2-(piperidin-1-ylmethyl)-4H-pyran-4-one
CID 71685911
2-[(Dimethylamino)methyl]-5-hydroxypyran-4-one
CID 90672509
3-hydroxy-6-(hydroxymethyl)-2-(morpholinomethyl)-4H-pyran-4-one
CID 261616
2-Hydroxy-3-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one
CID 45276452
3-Hydroxy-2-[(4-hydroxy-1-piperidyl)methyl]-6-methyl-pyran-4-one
CID 71591035
3-Hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methyl-pyran-4-one
CID 71591127
5-Hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyran-4-one
CID 103864923
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
CID 107485714
3-Hydroxy-2-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-6-methyl-pyran-4-one
CID 71590995
2-[[4-(2-Ethoxyethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methyl-pyran-4-one
CID 71591132
2-[[4-(2-Dimethylaminoethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methyl-pyran-4-one
CID 71591147
4-[(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl]piperazine-1-carbaldehyde
CID 91670320

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
The IUPAC name of 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one (CID 3318252) is 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
The canonical SMILES for 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one is O=c1cc(CN2CCOCC2)occ1O.
What is the InChIKey of 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
The InChIKey is IYSJGXVZXRIYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-9-5-8(15-7-10(9)13)6-11-1-3-14-4-2-11/h5,7,13H,1-4,6H2.
What are the key properties of 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one has a molecular weight of 211.22 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one is sourced from PubChem (CID 3318252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).