3-(cyclopropylmethoxy)pyrrolidine hydrochloride

• ChemBase ID: 47092
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: C1(CC1)COC1CCNC1.Cl
• Canonical SMILES: C1NCC(C1)OCC1CC1.Cl
• InChI: InChI=1S/C8H15NO.ClH/c1-2-7(1)6-10-8-3-4-9-5-8;/h7-9H,1-6H2;1H
• InChIKey: JCAPRFUBJRBSFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethoxy)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(cyclopropylmethoxy)pyrrolidine hydrochloride
• Synonyms: 3-(Cyclopropylmethoxy)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD09879223
• PubChem SID: 162051855
• PubChem CID: 45075448

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.745245
• LogD (pH = 7.4): -2.3643067
• Log P: 0.48892516
• Molar Refractivity: 40.2455 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false