8-amino-5-methyl-2H-chromen-2-one

• ChemBase ID: 185862
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c12c(ccc(=O)o1)c(ccc2N)C
• Canonical SMILES: O=c1ccc2c(o1)c(N)ccc2C
• InChI: InChI=1S/C10H9NO2/c1-6-2-4-8(11)10-7(6)3-5-9(12)13-10/h2-5H,11H2,1H3
• InChIKey: CSORTRYDZXKCDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-amino-5-methyl-2H-chromen-2-one
• IUPAC Traditional name: 8-amino-5-methylchromen-2-one

Database IDs

• PubChem SID: 164241772
• PubChem CID: 929168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4664484
• LogD (pH = 7.4): 1.4678373
• Log P: 1.4678551
• Molar Refractivity: 51.2902 cm^3
• Polarizability: 18.603233 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds