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

C10H8NO5- — CID 163125433

IUPAC3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
SMILESCc1ccc2oc(=O)c(N(O)O)c([O-])c2c1
InChIInChI=1S/C10H9NO5/c1-5-2-3-7-6(4-5)9(12)8(11(14)15)10(13)16-7/h2-4,12,14-15H,1H3/p-1
InChIKeyUDGSQZRYXKDXSM-UHFFFAOYSA-M
MW222.18 g/mol
LogP0.76
Rot. Bonds1

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

3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate (PubChem CID 163125433) has the molecular formula C10H8NO5- and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate.

Molecular Properties

Compound Name3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
PubChem CID163125433
Molecular FormulaC10H8NO5-
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
SMILESCc1ccc2oc(=O)c(N(O)O)c([O-])c2c1
InChIInChI=1S/C10H9NO5/c1-5-2-3-7-6(4-5)9(12)8(11(14)15)10(13)16-7/h2-4,12,14-15H,1H3/p-1
InChIKeyUDGSQZRYXKDXSM-UHFFFAOYSA-M
XLogP0.76
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-6-methoxy-2-oxochromen-4-olate
CID 163117362
4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
CID 163132795
3-(dihydroxyamino)-7-methoxy-2-oxochromen-4-olate
CID 163151689
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one
CID 136698388
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione
CID 155521439
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
2-methoxy-6-methyl-3-nitrochromen-4-one
CID 121220404
3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxy-6-methylchromen-2-one
CID 137306635
13-(4-hydroxy-6-methyl-2-oxochromen-3-yl)-6,20-dimethyl-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,17(22),18,20-octaene-11,15-dione
CID 54716867
4-amino-7-methyl-3-nitrochromen-2-one
CID 88988269

Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate?
The IUPAC name of 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate (CID 163125433) is 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate.
What is the SMILES notation for 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate?
The canonical SMILES for 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate is Cc1ccc2oc(=O)c(N(O)O)c([O-])c2c1.
What is the InChIKey of 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate?
The InChIKey is UDGSQZRYXKDXSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO5/c1-5-2-3-7-6(4-5)9(12)8(11(14)15)10(13)16-7/h2-4,12,14-15H,1H3/p-1.
What are the key properties of 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate?
3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate has a molecular weight of 222.18 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate is sourced from PubChem (CID 163125433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).