1-ethyl-4-[(methylamino)methyl]pyrrolidin-2-one

• ChemBase ID: 306635
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C(=O)CC(C1)CNC)CC
• Canonical SMILES: CNCC1CC(=O)N(C1)CC
• InChI: InChI=1S/C8H16N2O/c1-3-10-6-7(5-9-2)4-8(10)11/h7,9H,3-6H2,1-2H3
• InChIKey: ULMIVQRUJOTETO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-[(methylamino)methyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-ethyl-4-[(methylamino)methyl]pyrrolidin-2-one
• Synonyms: 1-ethyl-4-[(methylamino)methyl]pyrrolidin-2-one

Database IDs

• CAS Number: 959237-10-6
• MDL Number: MFCD09864228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.936697
• LogD (pH = 7.4): -3.5234754
• Log P: -0.70357573
• Molar Refractivity: 44.6368 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2