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

• ChemBase ID: 273931
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)CCC1)CCNC
• Canonical SMILES: CNCCN1CCCC1=O
• InChI: InChI=1S/C7H14N2O/c1-8-4-6-9-5-2-3-7(9)10/h8H,2-6H2,1H3
• InChIKey: XVMQNNPMIDGBKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14649556
• PubChem SID: 164329841
• PubChem CID: 21080324

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9011211
• LogD (pH = 7.4): -2.8501854
• Log P: -0.7203367
• Molar Refractivity: 39.879 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.457

Product Information

• Purity: 95%