1-(pyrrolidin-3-yl)pyrrolidin-2-one hydrochloride

• ChemBase ID: 243796
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: N1(C(=O)CCC1)C1CCNC1.Cl
• Canonical SMILES: O=C1CCCN1C1CNCC1.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c11-8-2-1-5-10(8)7-3-4-9-6-7;/h7,9H,1-6H2;1H
• InChIKey: VYUOQWHEBYMMSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-3-yl)pyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 1-(pyrrolidin-3-yl)pyrrolidin-2-one hydrochloride
• Synonyms: 1-(pyrrolidin-3-yl)pyrrolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD22578748
• PubChem SID: 164299706
• PubChem CID: 71757348

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.004705
• LogD (pH = 7.4): -3.5754635
• Log P: -0.7721348
• Molar Refractivity: 42.4456 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.74

Product Information

• Purity: 95%