(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methanol

• ChemBase ID: 261144
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: n1(c(cc(c1C)CO)C)C1CC1
• Canonical SMILES: OCc1cc(n(c1C)C1CC1)C
• InChI: InChI=1S/C10H15NO/c1-7-5-9(6-12)8(2)11(7)10-3-4-10/h5,10,12H,3-4,6H2,1-2H3
• InChIKey: ILHFQIWOESKLQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methanol
• IUPAC Traditional name: (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanol
• Synonyms: (1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methanol

Database IDs

• MDL Number: MFCD08443052
• PubChem SID: 164317054
• PubChem CID: 16769821

CALCULATED PROPERTIES

• Acid pKa: 15.088125
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3741434
• LogD (pH = 7.4): 1.3741434
• Log P: 1.3741434
• Molar Refractivity: 50.04 cm^3
• Polarizability: 18.72988 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 148°C
• Hydrophobicity(logP): 1.708

Product Information

• Purity: 95%