1-(4-aminocyclohexyl)pyrrolidine-2,5-dione hydrochloride

• ChemBase ID: 243124
• Molecular Formular: C10H17ClN2O2
• Molecular Mass: 232.70718
• Monoisotopic Mass: 232.09785547
• SMILES: N1(C(=O)CCC1=O)C1CCC(N)CC1.Cl
• Canonical SMILES: NC1CCC(CC1)N1C(=O)CCC1=O.Cl
• InChI: InChI=1S/C10H16N2O2.ClH/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14;/h7-8H,1-6,11H2;1H
• InChIKey: SKBLBVXGLVPMKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-aminocyclohexyl)pyrrolidine-2,5-dione hydrochloride
• IUPAC Traditional name: 1-(4-aminocyclohexyl)pyrrolidine-2,5-dione hydrochloride
• Synonyms: 1-(4-aminocyclohexyl)pyrrolidine-2,5-dione hydrochloride

Database IDs

• MDL Number: MFCD22578595
• PubChem SID: 164299034
• PubChem CID: 71757171

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4869156
• LogD (pH = 7.4): -3.0336316
• Log P: -0.46412528
• Molar Refractivity: 51.5193 cm^3
• Polarizability: 20.51984 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.662

Product Information

• Purity: 95%