(1-cyclopropyl-1H-imidazol-2-yl)methanol

• ChemBase ID: 309731
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1(c(ncc1)CO)C1CC1
• Canonical SMILES: OCc1nccn1C1CC1
• InChI: InChI=1S/C7H10N2O/c10-5-7-8-3-4-9(7)6-1-2-6/h3-4,6,10H,1-2,5H2
• InChIKey: MWTLCOKMUKQZBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropyl-1H-imidazol-2-yl)methanol
• IUPAC Traditional name: (1-cyclopropylimidazol-2-yl)methanol
• Synonyms: (1-cyclopropyl-1H-imidazol-2-yl)methanol

Database IDs

• MDL Number: MFCD19982737

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.525797
• LogD (pH = 7.4): -0.15867352
• Log P: -0.15016691
• Molar Refractivity: 37.2636 cm^3
• Polarizability: 14.327536 Å^3
• Polar Surface Area: 38.05 Å^2