3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione

• ChemBase ID: 184203
• Molecular Formular: C16H15NO2
• Molecular Mass: 253.2958
• Monoisotopic Mass: 253.11027873
• SMILES: N12C(=CC(=O)C1=O)c1c(CC32CCCC3)cccc1
• Canonical SMILES: O=C1C=C2N(C1=O)C1(CCCC1)Cc1c2cccc1
• InChI: InChI=1S/C16H15NO2/c18-14-9-13-12-6-2-1-5-11(12)10-16(7-3-4-8-16)17(13)15(14)19/h1-2,5-6,9H,3-4,7-8,10H2
• InChIKey: WRWCGFKBQSCTEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3',6'-dihydro-2'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione
• IUPAC Traditional name: 6'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinoline]-2',3'-dione

Database IDs

• PubChem SID: 164240113
• PubChem CID: 1720514

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6188056
• LogD (pH = 7.4): 2.6188056
• Log P: 2.6188056
• Molar Refractivity: 73.2649 cm^3
• Polarizability: 27.660616 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds