2-(2-methoxypropan-2-yl)pyrrolidine

• ChemBase ID: 67778
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1C(CCC1)C(C)(C)OC
• Canonical SMILES: COC(C1CCCN1)(C)C
• InChI: InChI=1S/C8H17NO/c1-8(2,10-3)7-5-4-6-9-7/h7,9H,4-6H2,1-3H3
• InChIKey: ZPGUMFCNPREQSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxypropan-2-yl)pyrrolidine
• IUPAC Traditional name: 2-(2-methoxypropan-2-yl)pyrrolidine
• Synonyms: 2-(2-Methoxypropan-2-yl)pyrrolidine

Database IDs

• CAS Number: 160142-25-6
• MDL Number: MFCD02093885
• PubChem SID: 162033513
• PubChem CID: 14809673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3165555
• LogD (pH = 7.4): -2.1496248
• Log P: 0.92286223
• Molar Refractivity: 42.0051 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%