6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one

C14H15NO5 — CID 5390105

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IUPAC6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESO=c1cc(CN2CCOCC2)c2cc(O)c(O)cc2o1
InChIInChI=1S/C14H15NO5/c16-11-6-10-9(8-15-1-3-19-4-2-15)5-14(18)20-13(10)7-12(11)17/h5-7,16-17H,1-4,8H2
InChIKeyFZRNEERXGKQYPH-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.04
Rot. Bonds2

About 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one

6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one (PubChem CID 5390105) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
PubChem CID5390105
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
SMILESO=c1cc(CN2CCOCC2)c2cc(O)c(O)cc2o1
InChIInChI=1S/C14H15NO5/c16-11-6-10-9(8-15-1-3-19-4-2-15)5-14(18)20-13(10)7-12(11)17/h5-7,16-17H,1-4,8H2
InChIKeyFZRNEERXGKQYPH-UHFFFAOYSA-N
XLogP1.04
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

Oxazorone
CID 5490061
6-Hydroxy-7-methyl-4-(morpholin-4-ylmethyl)chromen-2-one
CID 941988
6-Hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
CID 946346
Esculamine
CID 5359551
7,8-Dihydroxy-4-((3-hydroxypiperidin-1-yl)methyl)-2H-chromen-2-one (4)
CID 71816429
7,8-Dihydroxy-4-((4-hydroxypiperidin-1-yl)methyl)-2H-chromen-2-one (5)
CID 71816430
4-((4-benzylpiperazin-1-yl)methyl)-7,8-dihydroxy-2H-chromen-2-one
CID 5582251
7-Methoxy-6-(5-morpholin-4-ylpentoxy)-4-phenylchromen-2-one
CID 137656568
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
7-Hydroxy-6-(2-pyrrolidin-1-ylethoxy)chromen-2-one;hydrochloride
CID 60164261
7-Hydroxy-6-(3-pyrrolidin-1-ylpropoxy)chromen-2-one;hydrochloride
CID 60164362

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The IUPAC name of 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one (CID 5390105) is 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one.
What is the SMILES notation for 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The canonical SMILES for 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one is O=c1cc(CN2CCOCC2)c2cc(O)c(O)cc2o1.
What is the InChIKey of 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one?
The InChIKey is FZRNEERXGKQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-11-6-10-9(8-15-1-3-19-4-2-15)5-14(18)20-13(10)7-12(11)17/h5-7,16-17H,1-4,8H2.
What are the key properties of 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one?
6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one has a molecular weight of 277.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one is sourced from PubChem (CID 5390105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).