pyrrolidin-3-yl cyclopropanecarboxylate hydrochloride

• ChemBase ID: 45822
• Molecular Formular: C8H14ClNO2
• Molecular Mass: 191.65526
• Monoisotopic Mass: 191.07130637
• SMILES: C(=O)(C1CC1)OC1CCNC1.Cl
• Canonical SMILES: O=C(C1CC1)OC1CNCC1.Cl
• InChI: InChI=1S/C8H13NO2.ClH/c10-8(6-1-2-6)11-7-3-4-9-5-7;/h6-7,9H,1-5H2;1H
• InChIKey: UZJMYNMSFSDLTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrrolidin-3-yl cyclopropanecarboxylate hydrochloride
• IUPAC Traditional name: pyrrolidin-3-yl cyclopropanecarboxylate hydrochloride
• Synonyms: 3-Pyrrolidinyl cyclopropanecarboxylate hydrochloride

Database IDs

• MDL Number: MFCD13559811
• PubChem SID: 162050585
• PubChem CID: 55279765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9372776
• LogD (pH = 7.4): -2.3056476
• Log P: 0.286143
• Molar Refractivity: 40.103 cm^3
• Polarizability: 16.31348 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false