1-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride

• ChemBase ID: 246425
• Molecular Formular: C12H21ClN2O
• Molecular Mass: 244.76094
• Monoisotopic Mass: 244.13424098
• SMILES: C1(C2(C1)CCNCC2)C(=O)N1CCCC1.Cl
• Canonical SMILES: O=C(C1CC21CCNCC2)N1CCCC1.Cl
• InChI: InChI=1S/C12H20N2O.ClH/c15-11(14-7-1-2-8-14)10-9-12(10)3-5-13-6-4-12;/h10,13H,1-9H2;1H
• InChIKey: SLSHHQIVDJGOBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride
• IUPAC Traditional name: 1-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride
• Synonyms: 1-(pyrrolidine-1-carbonyl)-6-azaspiro[2.5]octane hydrochloride

Database IDs

• PubChem SID: 164302335
• PubChem CID: 71757990

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1703236
• LogD (pH = 7.4): -2.4844046
• Log P: 0.04977947
• Molar Refractivity: 59.4534 cm^3
• Polarizability: 23.379332 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): -0.422

Product Information

• Purity: 95%