5-(morpholine-4-carbonyl)adamantan-2-one

• ChemBase ID: 310769
• Molecular Formular: C15H21NO3
• Molecular Mass: 263.33214
• Monoisotopic Mass: 263.15214354
• SMILES: C12(C(=O)N3CCOCC3)CC3C(=O)C(C1)CC(C2)C3
• Canonical SMILES: O=C1C2CC3CC1CC(C2)(C3)C(=O)N1CCOCC1
• InChI: InChI=1S/C15H21NO3/c17-13-11-5-10-6-12(13)9-15(7-10,8-11)14(18)16-1-3-19-4-2-16/h10-12H,1-9H2
• InChIKey: LJEPZBYNNOTFAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholine-4-carbonyl)adamantan-2-one
• IUPAC Traditional name: 5-(morpholine-4-carbonyl)adamantan-2-one
• Synonyms: 5-(morpholin-4-ylcarbonyl)adamantan-2-one

Database IDs

• CAS Number: 174972-27-1
• MDL Number: MFCD03105593

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1343912
• LogD (pH = 7.4): 1.1344018
• Log P: 1.134402
• Molar Refractivity: 69.7716 cm^3
• Polarizability: 27.44546 Å^3
• Polar Surface Area: 46.61 Å^2