4-(pyrrolidine-2-carbonyl)morpholine hydrochloride

• ChemBase ID: 48905
• Molecular Formular: C9H17ClN2O2
• Molecular Mass: 220.69648
• Monoisotopic Mass: 220.09785547
• SMILES: C(=O)(N1CCOCC1)C1NCCC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN1.Cl
• InChI: InChI=1S/C9H16N2O2.ClH/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11;/h8,10H,1-7H2;1H
• InChIKey: WHYDWZRQXLECCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidine-2-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(pyrrolidine-2-carbonyl)morpholine hydrochloride
• Synonyms: 4-Morpholinyl(2-pyrrolidinyl)methanone hydrochloride

Database IDs

• MDL Number: MFCD11052934
• PubChem SID: 162053668
• PubChem CID: 45156252

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8821952
• LogD (pH = 7.4): -3.033421
• Log P: -0.67523235
• Molar Refractivity: 48.7544 cm^3
• Polarizability: 19.298449 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false