8-amino-7-hydroxy-2-methylchromen-4-one

C10H9NO3 — CID 13169563

IUPAC8-amino-7-hydroxy-2-methylchromen-4-one
SMILESCc1cc(=O)c2ccc(O)c(N)c2o1
InChIInChI=1S/C10H9NO3/c1-5-4-8(13)6-2-3-7(12)9(11)10(6)14-5/h2-4,12H,11H2,1H3
InChIKeyGIKYJQRYTRPBNO-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.39
Rot. Bonds

About 8-amino-7-hydroxy-2-methylchromen-4-one

8-amino-7-hydroxy-2-methylchromen-4-one (PubChem CID 13169563) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 8-amino-7-hydroxy-2-methylchromen-4-one.

Molecular Properties

Compound Name8-amino-7-hydroxy-2-methylchromen-4-one
PubChem CID13169563
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name8-amino-7-hydroxy-2-methylchromen-4-one
SMILESCc1cc(=O)c2ccc(O)c(N)c2o1
InChIInChI=1S/C10H9NO3/c1-5-4-8(13)6-2-3-7(12)9(11)10(6)14-5/h2-4,12H,11H2,1H3
InChIKeyGIKYJQRYTRPBNO-UHFFFAOYSA-N
XLogP1.39
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-amino-7-hydroxy-3,4-dimethylchromen-2-one
CID 124706841
7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
CID 14089868
4,5-diamino-3-hydroxy-6-methylxanthen-9-one
CID 170260496
8-amino-2-methylchromen-4-one
CID 147973217
2-methyl-8-[(E)-prop-1-enyl]chromen-4-one
CID 57438887
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562
2,7-dimethylchromen-4-one
CID 2343140
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
methanamine;2-methylchromen-4-one
CID 91311034
2-methyl-4-oxochromene-7-carboxylic acid
CID 166609828
2,7-dimethylpyrano[2,3-b]pyridin-4-one
CID 169285034
3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
CID 57388516

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-hydroxy-2-methylchromen-4-one?
The IUPAC name of 8-amino-7-hydroxy-2-methylchromen-4-one (CID 13169563) is 8-amino-7-hydroxy-2-methylchromen-4-one.
What is the SMILES notation for 8-amino-7-hydroxy-2-methylchromen-4-one?
The canonical SMILES for 8-amino-7-hydroxy-2-methylchromen-4-one is Cc1cc(=O)c2ccc(O)c(N)c2o1.
What is the InChIKey of 8-amino-7-hydroxy-2-methylchromen-4-one?
The InChIKey is GIKYJQRYTRPBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-4-8(13)6-2-3-7(12)9(11)10(6)14-5/h2-4,12H,11H2,1H3.
What are the key properties of 8-amino-7-hydroxy-2-methylchromen-4-one?
8-amino-7-hydroxy-2-methylchromen-4-one has a molecular weight of 191.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-hydroxy-2-methylchromen-4-one is sourced from PubChem (CID 13169563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).