2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-quinoline] hydrochloride

• ChemBase ID: 247419
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: C12(CC1)c1c(NCC2)cccc1.Cl
• Canonical SMILES: c1ccc2c(c1)NCCC12CC1.Cl
• InChI: InChI=1S/C11H13N.ClH/c1-2-4-10-9(3-1)11(5-6-11)7-8-12-10;/h1-4,12H,5-8H2;1H
• InChIKey: KBXXETLHYNJPGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-quinoline] hydrochloride
• IUPAC Traditional name: 2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-quinoline] hydrochloride
• Synonyms: 2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-quinoline] hydrochloride

Database IDs

• PubChem SID: 164303329
• PubChem CID: 71758219

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9819193
• LogD (pH = 7.4): 2.0528376
• Log P: 2.0538213
• Molar Refractivity: 51.3839 cm^3
• Polarizability: 19.16273 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.499

Product Information

• Purity: 95%