1-(pyrrolidin-3-yl)-2,5-dihydro-1H-pyrrole

• ChemBase ID: 281234
• Molecular Formular: C8H14N2
• Molecular Mass: 138.21016
• Monoisotopic Mass: 138.11569846
• SMILES: N1(C2CCNC2)CC=CC1
• Canonical SMILES: C1NCC(C1)N1CC=CC1
• InChI: InChI=1S/C8H14N2/c1-2-6-10(5-1)8-3-4-9-7-8/h1-2,8-9H,3-7H2
• InChIKey: FYCKEVJFNSIBQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-3-yl)-2,5-dihydro-1H-pyrrole
• IUPAC Traditional name: 1-(pyrrolidin-3-yl)-2,5-dihydropyrrole
• Synonyms: 1-(pyrrolidin-3-yl)-2,5-dihydro-1H-pyrrole

Database IDs

• MDL Number: MFCD20441608
• PubChem SID: 180666765
• PubChem CID: 54595396

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.176687
• LogD (pH = 7.4): -2.9299977
• Log P: 0.12965864
• Molar Refractivity: 43.6287 cm^3
• Polarizability: 16.837317 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.099

Product Information

• Purity: 95%