1H,2H,3H,4H,5H,6H,7H,8H,9H-cyclopenta[c]quinolin-4-one

• ChemBase ID: 118799
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: c12c(c(=O)[nH]c3c1CCCC3)CCC2
• Canonical SMILES: O=c1[nH]c2CCCCc2c2c1CCC2
• InChI: InChI=1S/C12H15NO/c14-12-10-6-3-5-8(10)9-4-1-2-7-11(9)13-12/h1-7H2,(H,13,14)
• InChIKey: YPDWWSMFSQNAFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,3H,4H,5H,6H,7H,8H,9H-cyclopenta[c]quinolin-4-one
• IUPAC Traditional name: 1H,2H,3H,5H,6H,7H,8H,9H-cyclopenta[c]quinolin-4-one
• Synonyms: 1,2,3,5,6,7,8,9-octahydro-4H-cyclopenta[c]quinolin-4-one

Database IDs

• PubChem SID: 162107202
• PubChem CID: 12238854

CALCULATED PROPERTIES

• Acid pKa: 12.289435
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5854155
• LogD (pH = 7.4): 1.5854106
• Log P: 1.5854156
• Molar Refractivity: 56.9071 cm^3
• Polarizability: 21.370287 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%