1-aminopent-4-en-2-ol

• ChemBase ID: 310159
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C(=C)CC(O)CN
• Canonical SMILES: NCC(CC=C)O
• InChI: InChI=1S/C5H11NO/c1-2-3-5(7)4-6/h2,5,7H,1,3-4,6H2
• InChIKey: WUCHYGSGPTWIRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminopent-4-en-2-ol
• IUPAC Traditional name: 1-aminopent-4-en-2-ol
• Synonyms: 1-amino-4-penten-2-ol

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2318494
• LogD (pH = 7.4): -2.3633032
• Log P: -0.23588277
• Molar Refractivity: 29.799 cm^3
• Polarizability: 11.844081 Å^3
• Polar Surface Area: 46.25 Å^2