1-(pyrrolidine-2-carbonyl)pyrrolidine hydrochloride

• ChemBase ID: 48901
• Molecular Formular: C9H17ClN2O
• Molecular Mass: 204.69708
• Monoisotopic Mass: 204.10294085
• SMILES: C(=O)(N1CCCC1)C1NCCC1.Cl
• Canonical SMILES: O=C(C1CCCN1)N1CCCC1.Cl
• InChI: InChI=1S/C9H16N2O.ClH/c12-9(8-4-3-5-10-8)11-6-1-2-7-11;/h8,10H,1-7H2;1H
• InChIKey: NFNGYUXIXLYXKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidine-2-carbonyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 1-(pyrrolidine-2-carbonyl)pyrrolidine hydrochloride
• Synonyms: 1-Pyrrolidinyl(2-pyrrolidinyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD13562149
• PubChem SID: 162053664
• PubChem CID: 17856411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2579067
• LogD (pH = 7.4): -2.4092274
• Log P: -0.050934426
• Molar Refractivity: 47.2209 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false