(3S,4S)-4-(pyrrolidin-1-yl)pyrrolidin-3-ol

• ChemBase ID: 308652
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1([C@@H]2[C@H](CNC2)O)CCCC1
• Canonical SMILES: O[C@H]1CNC[C@@H]1N1CCCC1
• InChI: InChI=1S/C8H16N2O/c11-8-6-9-5-7(8)10-3-1-2-4-10/h7-9,11H,1-6H2/t7-,8-/m0/s1
• InChIKey: XNAZVRGJPIDDOQ-YUMQZZPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-(pyrrolidin-1-yl)pyrrolidin-3-ol
• IUPAC Traditional name: (3S,4S)-4-(pyrrolidin-1-yl)pyrrolidin-3-ol
• Synonyms: trans-1,3'-bipyrrolidin-4'-ol

Database IDs

• CAS Number: 960289-59-2
• MDL Number: MFCD11505311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9943721
• LogD (pH = 7.4): -3.1204958
• Log P: -0.5105293
• Molar Refractivity: 43.9172 cm^3
• Polarizability: 17.678791 Å^3
• Polar Surface Area: 35.5 Å^2