4-methyl-2H,6H,7H,8H,9H-chromeno[7,6-b]pyridin-2-one

• ChemBase ID: 186870
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c12c(c(cc(=O)o1)C)cc1c(c2)NCCC1
• Canonical SMILES: O=c1cc(C)c2c(o1)cc1c(c2)CCCN1
• InChI: InChI=1S/C13H13NO2/c1-8-5-13(15)16-12-7-11-9(6-10(8)12)3-2-4-14-11/h5-7,14H,2-4H2,1H3
• InChIKey: PZTQNUMZYIQRGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2H,6H,7H,8H,9H-chromeno[7,6-b]pyridin-2-one
• IUPAC Traditional name: 4-methyl-6H,7H,8H,9H-chromeno[7,6-b]pyridin-2-one

Database IDs

• PubChem SID: 164242780
• PubChem CID: 100789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0163827
• LogD (pH = 7.4): 2.039684
• Log P: 2.0399895
• Molar Refractivity: 63.935 cm^3
• Polarizability: 23.393057 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds