1-{[(2R)-pyrrolidin-2-yl]methyl}pyrrolidine

• ChemBase ID: 797139
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CCCC1)C[C@@H]1NCCC1
• Canonical SMILES: C1CCN(C1)C[C@H]1CCCN1
• InChI: InChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2/t9-/m1/s1
• InChIKey: YLBWRMSQRFEIEB-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[(2R)-pyrrolidin-2-yl]methyl}pyrrolidine
• IUPAC Traditional name: 1-[(2R)-pyrrolidin-2-ylmethyl]pyrrolidine
• Synonyms: (R)-(-)-1-(2-PyrrolidinylMethyl)pyrrolidine

Database IDs

• CAS Number: 60419-23-0

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -4.535761
• LogD (pH = 7.4): -2.7264926
• Log P: 0.69712806
• Molar Refractivity: 47.4647 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Product Information

• Purity: 97%