6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate

C10H8NO5- — CID 20831207

IUPAC6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate
SMILESCc1cc(=O)oc2cc([O-])c(N(O)O)cc12
InChIInChI=1S/C10H9NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12,14-15H,1H3/p-1
InChIKeyHZOUXDYJGNXNBX-UHFFFAOYSA-M
MW222.18 g/mol
LogP0.76
Rot. Bonds1

About 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate

6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate (PubChem CID 20831207) has the molecular formula C10H8NO5- and a molecular weight of 222.18 g/mol. Its IUPAC name is 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate.

Molecular Properties

Compound Name6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate
PubChem CID20831207
Molecular FormulaC10H8NO5-
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate
SMILESCc1cc(=O)oc2cc([O-])c(N(O)O)cc12
InChIInChI=1S/C10H9NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12,14-15H,1H3/p-1
InChIKeyHZOUXDYJGNXNBX-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

6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
CID 21140803
6-hydroxy-4-methyl-7-nitrochromen-2-one
CID 10987809
6,7-bis(2-hydroxyethyl)-4-methylchromen-2-one
CID 19392051
7-(diethylamino)-4,6-dimethylchromen-2-one
CID 11736705
6-[(4-carboxyphenyl)diazenyl]-4-methyl-2-oxochromen-7-olate
CID 135759553
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
2-[(7-hydroxy-4-methyl-2-oxochromen-6-yl)methyl-methylamino]acetic acid
CID 5384392
6-tert-butyl-7-hydroxy-4-methylchromen-2-one
CID 71417823
4-methyl-6,8-dihydrofuro[3,4-g]chromen-2-one
CID 91872203
(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate
CID 13963
6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one
CID 20526547
2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
CID 46197759

Frequently Asked Questions

What is the IUPAC name of 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate?
The IUPAC name of 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate (CID 20831207) is 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate.
What is the SMILES notation for 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate?
The canonical SMILES for 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate is Cc1cc(=O)oc2cc([O-])c(N(O)O)cc12.
What is the InChIKey of 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate?
The InChIKey is HZOUXDYJGNXNBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12,14-15H,1H3/p-1.
What are the key properties of 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate?
6-(dihydroxyamino)-4-methyl-2-oxochromen-7-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 6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate is sourced from PubChem (CID 20831207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).