3-(cyclopropylmethyl)pyrrolidine

• ChemBase ID: 50171
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C1(CC1)CC1CNCC1
• Canonical SMILES: C1NCC(C1)CC1CC1
• InChI: InChI=1S/C8H15N/c1-2-7(1)5-8-3-4-9-6-8/h7-9H,1-6H2
• InChIKey: QFLJECQUSIEQJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethyl)pyrrolidine
• IUPAC Traditional name: 3-(cyclopropylmethyl)pyrrolidine
• Synonyms: 3-(Cyclopropylmethyl)pyrrolidine

Database IDs

• MDL Number: MFCD07383551
• PubChem SID: 162054934
• PubChem CID: 53409355

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9508103
• LogD (pH = 7.4): -1.8862268
• Log P: 1.2903223
• Molar Refractivity: 38.6544 cm^3
• Polarizability: 15.551486 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false