4-(pyrrolidin-3-yl)-1H-imidazole

• ChemBase ID: 310147
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(c[nH]c1)C1CNCC1
• Canonical SMILES: C1NCC(C1)c1c[nH]cn1
• InChI: InChI=1S/C7H11N3/c1-2-8-3-6(1)7-4-9-5-10-7/h4-6,8H,1-3H2,(H,9,10)
• InChIKey: YQRQZXURFZZPAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidin-3-yl)-1H-imidazole
• IUPAC Traditional name: 4-(pyrrolidin-3-yl)-1H-imidazole
• Synonyms: 4-(3-pyrrolidinyl)-1H-imidazole

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.994177
• LogD (pH = 7.4): -3.1912746
• Log P: -0.19893736
• Molar Refractivity: 39.2809 cm^3
• Polarizability: 15.226112 Å^3
• Polar Surface Area: 40.71 Å^2