3,4-dihydro-2H-pyrrol-5-amine

• ChemBase ID: 120989
• Molecular Formular: C4H8N2
• Molecular Mass: 84.11972
• Monoisotopic Mass: 84.06874827
• SMILES: N1=C(N)CCC1
• Canonical SMILES: NC1=NCCC1
• InChI: InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
• InChIKey: NJBMZYSKLWQXLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydro-2H-pyrrol-5-amine
• IUPAC Traditional name: 4,5-dihydro-3H-pyrrol-2-amine
• Synonyms: 3,4-dihydro-2H-pyrrol-5-amine

Database IDs

• PubChem SID: 162215342
• PubChem CID: 12778904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9251766
• LogD (pH = 7.4): -2.9202378
• Log P: -0.5097811
• Molar Refractivity: 24.4371 cm^3
• Polarizability: 9.232384 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true