2,5-dihydro-1H-pyrrol-2-ylmethanol

• ChemBase ID: 308369
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: N1C(C=CC1)CO
• Canonical SMILES: OCC1NCC=C1
• InChI: InChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h1-2,5-7H,3-4H2
• InChIKey: KCJCTHAQPCGMBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dihydro-1H-pyrrol-2-ylmethanol
• IUPAC Traditional name: 2,5-dihydro-1H-pyrrol-2-ylmethanol
• Synonyms: 2,5-dihydro-1H-pyrrol-2-ylmethanol

Database IDs

• CAS Number: 1256643-00-1
• MDL Number: MFCD18381888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6919785
• LogD (pH = 7.4): -3.078857
• Log P: -0.46752268
• Molar Refractivity: 29.0055 cm^3
• Polarizability: 11.113926 Å^3
• Polar Surface Area: 32.26 Å^2