cyclopentyl 2,5-dioxopyrrolidin-1-yl carbonate

• ChemBase ID: 293535
• Molecular Formular: C10H13NO5
• Molecular Mass: 227.21392
• Monoisotopic Mass: 227.07937252
• SMILES: O=C(OC1CCCC1)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)OC1CCCC1
• InChI: InChI=1S/C10H13NO5/c12-8-5-6-9(13)11(8)16-10(14)15-7-3-1-2-4-7/h7H,1-6H2
• InChIKey: MKHDXOXWZKDUKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl 2,5-dioxopyrrolidin-1-yl carbonate
• IUPAC Traditional name: cyclopentyl 2,5-dioxopyrrolidin-1-yl carbonate
• Synonyms: N-(Cyclopentyloxycarbonyloxy)succinimide

Database IDs

• CAS Number: 128595-07-3
• MDL Number: MFCD04038113
• PubChem SID: 180679066
• PubChem CID: 15927743

CALCULATED PROPERTIES

• Acid pKa: 17.63416
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1202327
• LogD (pH = 7.4): 1.1202327
• Log P: 1.1202327
• Molar Refractivity: 51.2343 cm^3
• Polarizability: 20.620546 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%