1-cyclohexylpyrrolidine-2,5-dione

• ChemBase ID: 295290
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: C1CCC(CC1)N1C(=O)CCC1=O
• Canonical SMILES: O=C1CCC(=O)N1C1CCCCC1
• InChI: InChI=1S/C10H15NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h8H,1-7H2
• InChIKey: JHULURRVRLTSRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpyrrolidine-2,5-dione
• IUPAC Traditional name: 1-cyclohexylpyrrolidine-2,5-dione
• Synonyms: N-(Cyclohexyl)succinimide; N-(环己基)丁二酰亚胺

Database IDs

• CAS Number: 6301-71-9
• MDL Number: MFCD00022584
• PubChem SID: 180680821
• PubChem CID: 95908

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0294751
• LogD (pH = 7.4): 1.0294751
• Log P: 1.0294751
• Molar Refractivity: 48.1923 cm^3
• Polarizability: 18.990404 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-166°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%