4-(pyrrolidine-2-carbonyl)morpholine

• ChemBase ID: 252687
• Molecular Formular: C9H16N2O2
• Molecular Mass: 184.23554
• Monoisotopic Mass: 184.12117776
• SMILES: C(=O)(N1CCOCC1)C1NCCC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN1
• InChI: InChI=1S/C9H16N2O2/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2
• InChIKey: PKXDNQMIUVUJGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidine-2-carbonyl)morpholine
• IUPAC Traditional name: 4-(pyrrolidine-2-carbonyl)morpholine
• Synonyms: 4-(pyrrolidin-2-ylcarbonyl)morpholine

Database IDs

• MDL Number: MFCD06740216
• PubChem SID: 164308597
• PubChem CID: 6421035

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

Physical Property

• Hydrophobicity(logP): -0.042

Product Information

• Purity: 95%