2-[(dimethylamino)methyl]cyclopentan-1-one

• ChemBase ID: 307812
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C1(C(=O)CCC1)CN(C)C
• Canonical SMILES: CN(CC1CCCC1=O)C
• InChI: InChI=1S/C8H15NO/c1-9(2)6-7-4-3-5-8(7)10/h7H,3-6H2,1-2H3
• InChIKey: QCHXYCFAPIOFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethylamino)methyl]cyclopentan-1-one
• IUPAC Traditional name: 2-[(dimethylamino)methyl]cyclopentan-1-one
• Synonyms: 2-[(dimethylamino)methyl]cyclopentanone

Database IDs

• CAS Number: 6947-99-5
• MDL Number: MFCD02726290

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.076133
• LogD (pH = 7.4): -0.40269142
• Log P: 1.0145873
• Molar Refractivity: 41.7224 cm^3
• Polarizability: 16.334124 Å^3
• Polar Surface Area: 20.31 Å^2