2'-phenyl-4',6'-dihydrospiro[cyclopentane-1,5'-naphtho[1,2-d][1,3]oxazine]-4'-one

• ChemBase ID: 182174
• Molecular Formular: C22H19NO2
• Molecular Mass: 329.39176
• Monoisotopic Mass: 329.14157885
• SMILES: c12c(nc(oc1=O)c1ccccc1)c1c(CC32CCCC3)cccc1
• Canonical SMILES: O=c1oc(nc2c1C1(CCCC1)Cc1c2cccc1)c1ccccc1
• InChI: InChI=1S/C22H19NO2/c24-21-18-19(23-20(25-21)15-8-2-1-3-9-15)17-11-5-4-10-16(17)14-22(18)12-6-7-13-22/h1-5,8-11H,6-7,12-14H2
• InChIKey: LDLRPEXVIWLUEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2'-phenyl-4',6'-dihydrospiro[cyclopentane-1,5'-naphtho[1,2-d][1,3]oxazine]-4'-one
• IUPAC Traditional name: 2'-phenyl-6'H-spiro[cyclopentane-1,5'-naphtho[1,2-d][1,3]oxazine]-4'-one

Database IDs

• PubChem SID: 164238084
• PubChem CID: 753933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8298793
• LogD (pH = 7.4): 4.8298793
• Log P: 4.8298793
• Molar Refractivity: 97.7731 cm^3
• Polarizability: 37.37941 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds