1',2',3,4-tetrahydrospiro[1,3-benzoxazine-2,3'-indole]-2',4-dione

• ChemBase ID: 218826
• Molecular Formular: C15H10N2O3
• Molecular Mass: 266.2515
• Monoisotopic Mass: 266.06914219
• SMILES: C12(NC(=O)c3c(O1)cccc3)C(=O)Nc1c2cccc1
• Canonical SMILES: O=C1NC2(Oc3c1cccc3)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C15H10N2O3/c18-13-9-5-1-4-8-12(9)20-15(17-13)10-6-2-3-7-11(10)16-14(15)19/h1-8H,(H,16,19)(H,17,18)
• InChIKey: IBOCOHBQWOBDLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1',2',3,4-tetrahydrospiro[1,3-benzoxazine-2,3'-indole]-2',4-dione
• IUPAC Traditional name: 1'H,3H-spiro[1,3-benzoxazine-2,3'-indole]-2',4-dione

Database IDs

• PubChem SID: 164274736
• PubChem CID: 4385389

CALCULATED PROPERTIES

• Acid pKa: 9.489261
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2464025
• LogD (pH = 7.4): 2.2433207
• Log P: 2.2464418
• Molar Refractivity: 72.4392 cm^3
• Polarizability: 26.864376 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds