2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide

C11H9NO5 — CID 91257368

IUPAC2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide
SMILESNC(=O)COc1ccc2oc(=O)cc(O)c2c1
InChIInChI=1S/C11H9NO5/c12-10(14)5-16-6-1-2-9-7(3-6)8(13)4-11(15)17-9/h1-4,13H,5H2,(H2,12,14)
InChIKeyOJZMCKSGJMOCDW-UHFFFAOYSA-N
MW235.19 g/mol
LogP0.36
Rot. Bonds3

About 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide

2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide (PubChem CID 91257368) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide
PubChem CID91257368
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide
SMILESNC(=O)COc1ccc2oc(=O)cc(O)c2c1
InChIInChI=1S/C11H9NO5/c12-10(14)5-16-6-1-2-9-7(3-6)8(13)4-11(15)17-9/h1-4,13H,5H2,(H2,12,14)
InChIKeyOJZMCKSGJMOCDW-UHFFFAOYSA-N
XLogP0.36
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
methyl 4-hydroxy-2-oxochromene-6-carboxylate
CID 54690204
2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 767870
2-[[3-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]acetamide
CID 91637457
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
6,7,8,9-tetrahydrodibenzofuran-2-yl 3-(2-amino-2-oxoethoxy)benzoate
CID 35738639
ethyl 4-[[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]amino]benzoate
CID 1329212
6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one
CID 122188453
2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
CID 166604349
methyl 2-[(4-hydroxy-2-oxochromen-6-yl)amino]-2-oxoacetate
CID 88747657

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide?
The IUPAC name of 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide (CID 91257368) is 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide.
What is the SMILES notation for 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide?
The canonical SMILES for 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide is NC(=O)COc1ccc2oc(=O)cc(O)c2c1.
What is the InChIKey of 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide?
The InChIKey is OJZMCKSGJMOCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c12-10(14)5-16-6-1-2-9-7(3-6)8(13)4-11(15)17-9/h1-4,13H,5H2,(H2,12,14).
What are the key properties of 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide?
2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide has a molecular weight of 235.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide is sourced from PubChem (CID 91257368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).