5,6-diamino-7-hydroxy-4-methylchromen-2-one

C10H10N2O3 — CID 171843857

IUPAC5,6-diamino-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(N)c(N)c12
InChIInChI=1S/C10H10N2O3/c1-4-2-7(14)15-6-3-5(13)9(11)10(12)8(4)6/h2-3,13H,11-12H2,1H3
InChIKeyXZKFINKNLKVBAK-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.97
Rot. Bonds

About 5,6-diamino-7-hydroxy-4-methylchromen-2-one

5,6-diamino-7-hydroxy-4-methylchromen-2-one (PubChem CID 171843857) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5,6-diamino-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name5,6-diamino-7-hydroxy-4-methylchromen-2-one
PubChem CID171843857
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5,6-diamino-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(N)c(N)c12
InChIInChI=1S/C10H10N2O3/c1-4-2-7(14)15-6-3-5(13)9(11)10(12)8(4)6/h2-3,13H,11-12H2,1H3
InChIKeyXZKFINKNLKVBAK-UHFFFAOYSA-N
XLogP0.97
TPSA102.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,7-dihydroxy-4-methyl-2-oxochromene-6-carboxylate
CID 44721130
5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one
CID 12857252
5,7-dihydroxy-4-methyl-6-(3-methylbutanoyl)chromen-2-one
CID 86288870
6-tert-butyl-7-hydroxy-4-methylchromen-2-one
CID 71417823
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
ethyl 4,5,7-trihydroxy-2-oxochromene-6-carboxylate
CID 71350381
2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 767870
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
6-hydroxy-4-methyl-7-nitrochromen-2-one
CID 10987809
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
9-hydroxy-1-methyl-10-nitrobenzo[f]chromen-3-one
CID 139226524
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 5,6-diamino-7-hydroxy-4-methylchromen-2-one (CID 171843857) is 5,6-diamino-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 5,6-diamino-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 5,6-diamino-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O)c(N)c(N)c12.
What is the InChIKey of 5,6-diamino-7-hydroxy-4-methylchromen-2-one?
The InChIKey is XZKFINKNLKVBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-4-2-7(14)15-6-3-5(13)9(11)10(12)8(4)6/h2-3,13H,11-12H2,1H3.
What are the key properties of 5,6-diamino-7-hydroxy-4-methylchromen-2-one?
5,6-diamino-7-hydroxy-4-methylchromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 171843857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).