2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide

C11H7NO6 — CID 54695489

IUPAC2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C11H7NO6/c12-10(16)9(15)7-8(14)5-2-1-4(13)3-6(5)18-11(7)17/h1-3,13-14H,(H2,12,16)
InChIKeyVYYLMEPSWIZNRM-UHFFFAOYSA-N
MW249.18 g/mol
LogP-0.13
Rot. Bonds2

About 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide

2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide (PubChem CID 54695489) has the molecular formula C11H7NO6 and a molecular weight of 249.18 g/mol. Its IUPAC name is 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide
PubChem CID54695489
Molecular FormulaC11H7NO6
Molecular Weight249.18 g/mol
Exact Mass249.03
IUPAC Name2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C11H7NO6/c12-10(16)9(15)7-8(14)5-2-1-4(13)3-6(5)18-11(7)17/h1-3,13-14H,(H2,12,16)
InChIKeyVYYLMEPSWIZNRM-UHFFFAOYSA-N
XLogP-0.13
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,7-dihydroxy-2-oxochromene-3-carboxamide
CID 54698717
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
(4,7-dihydroxy-2-oxochromen-3-yl)carbamic acid
CID 123577970
(4,7-dihydroxy-2-oxochromen-3-yl) acetate
CID 54735281
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
acetic acid;2-(3,6-dihydroxy-1-benzofuran-2-yl)acetamide
CID 23621309
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
2-(7-hydroxy-2-oxochromen-4-yl)-N'-[2-(4-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]acetohydrazide
CID 91289685
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide (CID 54695489) is 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide is NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O.
What is the InChIKey of 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide?
The InChIKey is VYYLMEPSWIZNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO6/c12-10(16)9(15)7-8(14)5-2-1-4(13)3-6(5)18-11(7)17/h1-3,13-14H,(H2,12,16).
What are the key properties of 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide?
2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide has a molecular weight of 249.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dihydroxy-2-oxochromen-3-yl)-2-oxoacetamide is sourced from PubChem (CID 54695489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).