1-(1-cyclopropylethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 270763
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: N1(C(=O)C=CC1=O)C(C1CC1)C
• Canonical SMILES: CC(N1C(=O)C=CC1=O)C1CC1
• InChI: InChI=1S/C9H11NO2/c1-6(7-2-3-7)10-8(11)4-5-9(10)12/h4-7H,2-3H2,1H3
• InChIKey: QOYHKRNBTUYMMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropylethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(1-cyclopropylethyl)pyrrole-2,5-dione
• Synonyms: 1-(1-cyclopropylethyl)-2,5-dihydro-1H-pyrrole-2,5-dione

Database IDs

• MDL Number: MFCD12195218
• PubChem SID: 164326673
• PubChem CID: 43533508

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.78492546
• LogD (pH = 7.4): 0.78492546
• Log P: 0.78492546
• Molar Refractivity: 44.6089 cm^3
• Polarizability: 16.910316 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.102

Product Information

• Purity: 95%