7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one

C14H15NO5 — CID 174709665

IUPAC7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one
SMILESCN1CC(c2cc3ccc(O)cc3oc2=O)OCC1O
InChIInChI=1S/C14H15NO5/c1-15-6-12(19-7-13(15)17)10-4-8-2-3-9(16)5-11(8)20-14(10)18/h2-5,12-13,16-17H,6-7H2,1H3
InChIKeyVDEJTODQBIEDGV-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.82
Rot. Bonds1

About 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one

7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one (PubChem CID 174709665) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one
PubChem CID174709665
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one
SMILESCN1CC(c2cc3ccc(O)cc3oc2=O)OCC1O
InChIInChI=1S/C14H15NO5/c1-15-6-12(19-7-13(15)17)10-4-8-2-3-9(16)5-11(8)20-14(10)18/h2-5,12-13,16-17H,6-7H2,1H3
InChIKeyVDEJTODQBIEDGV-UHFFFAOYSA-N
XLogP0.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

Oxazorone
CID 5490061
2H-1-Benzopyran-2-one, 4-methyl-7-(2-(1-piperidinyl)ethoxy)-
CID 915272
2-(1-Piperidinyl)ethyl 2-hydroxy-4-propoxybenzoate
CID 23723184
7-Hydroxy-3-(3-morpholin-4-ylpropanoyl)chromen-2-one;hydrochloride
CID 141520121
3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride
CID 5731423
1-(2-((4-ethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 1774627
7-hydroxy-4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-8-methyl-2H-chromen-2-one
CID 5589231
Ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate
CID 71528782
7-[[1-(3-Hydroxypropyl)piperidin-4-yl]methoxy]-3,4-dimethylchromen-2-one
CID 155530592
7-[[1-(4-Hydroxybutyl)piperidin-4-yl]methoxy]-3,4-dimethylchromen-2-one
CID 155561583
4-[(2,6-Dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one
CID 5962312
7-Hydroxy-8-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
CID 6215320

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one?
The IUPAC name of 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one (CID 174709665) is 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one is CN1CC(c2cc3ccc(O)cc3oc2=O)OCC1O.
What is the InChIKey of 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one?
The InChIKey is VDEJTODQBIEDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-15-6-12(19-7-13(15)17)10-4-8-2-3-9(16)5-11(8)20-14(10)18/h2-5,12-13,16-17H,6-7H2,1H3.
What are the key properties of 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one?
7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one has a molecular weight of 277.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one is sourced from PubChem (CID 174709665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).