3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate

C10H8NO6- — CID 163117362

IUPAC3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate
SMILESCOc1ccc2oc(=O)c(N(O)O)c([O-])c2c1
InChIInChI=1S/C10H9NO6/c1-16-5-2-3-7-6(4-5)9(12)8(11(14)15)10(13)17-7/h2-4,12,14-15H,1H3/p-1
InChIKeyGTUNTVHELXWNDB-UHFFFAOYSA-M
MW238.17 g/mol
LogP0.46
Rot. Bonds2

About 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate

3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate (PubChem CID 163117362) has the molecular formula C10H8NO6- and a molecular weight of 238.17 g/mol. Its IUPAC name is 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate.

Molecular Properties

Compound Name3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate
PubChem CID163117362
Molecular FormulaC10H8NO6-
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate
SMILESCOc1ccc2oc(=O)c(N(O)O)c([O-])c2c1
InChIInChI=1S/C10H9NO6/c1-16-5-2-3-7-6(4-5)9(12)8(11(14)15)10(13)17-7/h2-4,12,14-15H,1H3/p-1
InChIKeyGTUNTVHELXWNDB-UHFFFAOYSA-M
XLogP0.46
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(dihydroxyamino)-7-methoxy-2-oxochromen-4-olate
CID 163151689
3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
CID 163125433
4-hydroxy-6-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299735
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
7-methoxy-4-methyl-3-nitrochromen-2-one
CID 118081099
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
10-methoxy-2-methylnaphtho[2,3-c]chromen-6-one
CID 15262080
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037

Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate?
The IUPAC name of 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate (CID 163117362) is 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate.
What is the SMILES notation for 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate?
The canonical SMILES for 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate is COc1ccc2oc(=O)c(N(O)O)c([O-])c2c1.
What is the InChIKey of 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate?
The InChIKey is GTUNTVHELXWNDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO6/c1-16-5-2-3-7-6(4-5)9(12)8(11(14)15)10(13)17-7/h2-4,12,14-15H,1H3/p-1.
What are the key properties of 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate?
3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate has a molecular weight of 238.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate is sourced from PubChem (CID 163117362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).