8-(morpholin-4-ylmethyl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one

• ChemBase ID: 207284
• Molecular Formular: C15H15NO5
• Molecular Mass: 289.2833
• Monoisotopic Mass: 289.09502259
• SMILES: c1(c2c(oc(=O)c1)cc1c(c2)OCO1)CN1CCOCC1
• Canonical SMILES: O=c1cc(CN2CCOCC2)c2c(o1)cc1c(c2)OCO1
• InChI: InChI=1S/C15H15NO5/c17-15-5-10(8-16-1-3-18-4-2-16)11-6-13-14(20-9-19-13)7-12(11)21-15/h5-7H,1-4,8-9H2
• InChIKey: RYARBWRXFMOOOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(morpholin-4-ylmethyl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one
• IUPAC Traditional name: 8-(morpholin-4-ylmethyl)-2H-[1,3]dioxolo[4,5-g]chromen-6-one

Database IDs

• PubChem SID: 164263194
• PubChem CID: 1778603

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.64251804
• LogD (pH = 7.4): 0.9107048
• Log P: 0.9154626
• Molar Refractivity: 74.1735 cm^3
• Polarizability: 28.907352 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds