6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one

C11H10NO5- — CID 21140803

IUPAC6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
SMILESCOc1cc2oc(=O)cc(C)c2cc1N([O-])O
InChIInChI=1S/C11H10NO5/c1-6-3-11(13)17-9-5-10(16-2)8(12(14)15)4-7(6)9/h3-5,14H,1-2H3/q-1
InChIKeyCZPFMZIYKXUZQR-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.80
Rot. Bonds2

About 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one

6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one (PubChem CID 21140803) has the molecular formula C11H10NO5- and a molecular weight of 236.20 g/mol. Its IUPAC name is 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
PubChem CID21140803
Molecular FormulaC11H10NO5-
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
SMILESCOc1cc2oc(=O)cc(C)c2cc1N([O-])O
InChIInChI=1S/C11H10NO5/c1-6-3-11(13)17-9-5-10(16-2)8(12(14)15)4-7(6)9/h3-5,14H,1-2H3/q-1
InChIKeyCZPFMZIYKXUZQR-UHFFFAOYSA-N
XLogP1.80
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate
CID 20831207
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one
CID 20526547
(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate
CID 13963
N-(2,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 57363248
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
sodium 2-(6-hydroxy-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23704348
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 6924639
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 3681882
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 55380662
2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one?
The IUPAC name of 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one (CID 21140803) is 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one.
What is the SMILES notation for 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one?
The canonical SMILES for 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one is COc1cc2oc(=O)cc(C)c2cc1N([O-])O.
What is the InChIKey of 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one?
The InChIKey is CZPFMZIYKXUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NO5/c1-6-3-11(13)17-9-5-10(16-2)8(12(14)15)4-7(6)9/h3-5,14H,1-2H3/q-1.
What are the key properties of 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one?
6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one has a molecular weight of 236.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one is sourced from PubChem (CID 21140803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).