2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione

C15H15NO5 — CID 67812607

IUPAC2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione
SMILESO=C1C=C(N2CCOCC2)OC(c2ccccc2O)C1=O
InChIInChI=1S/C15H15NO5/c17-11-4-2-1-3-10(11)15-14(19)12(18)9-13(21-15)16-5-7-20-8-6-16/h1-4,9,15,17H,5-8H2
InChIKeyCEKNMPHZNHSBKM-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.78
Rot. Bonds2

About 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione

2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione (PubChem CID 67812607) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione
PubChem CID67812607
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione
SMILESO=C1C=C(N2CCOCC2)OC(c2ccccc2O)C1=O
InChIInChI=1S/C15H15NO5/c17-11-4-2-1-3-10(11)15-14(19)12(18)9-13(21-15)16-5-7-20-8-6-16/h1-4,9,15,17H,5-8H2
InChIKeyCEKNMPHZNHSBKM-UHFFFAOYSA-N
XLogP0.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-4a,9a-dihydroanthracene-9,10-dione
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CID 90729550
(5S)-3-morpholin-4-yl-5-phenylcyclohex-2-en-1-one
CID 788554
(4R)-4-(2-hydroxyphenyl)-8-methyl-2-morpholin-4-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 136768747
2-morpholin-4-ylsulfonylphenol
CID 79020270
(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid
CID 90913539
(3aS,6R,6aS,9aR,10aS,10bR)-6-(2-hydroxyphenyl)-2,8-bis(4-morpholin-4-ylphenyl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CID 6637780
4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one
CID 105460035
2-(dioxiran-3-yl)phenol
CID 87283547
15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane
CID 174818329
4-[5-(1,3-benzodioxol-2-yl)pyrimidin-4-yl]morpholine
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8-(2-chlorophenyl)-2-morpholin-4-yl-4H-chromene-4-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione (CID 67812607) is 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione is O=C1C=C(N2CCOCC2)OC(c2ccccc2O)C1=O.
What is the InChIKey of 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione?
The InChIKey is CEKNMPHZNHSBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-11-4-2-1-3-10(11)15-14(19)12(18)9-13(21-15)16-5-7-20-8-6-16/h1-4,9,15,17H,5-8H2.
What are the key properties of 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione?
2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione has a molecular weight of 289.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-6-morpholin-4-ylpyran-3,4-dione is sourced from PubChem (CID 67812607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).