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

• ChemBase ID: 230619
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: N1(C(=O)C=CC1=O)CCOC
• Canonical SMILES: COCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C7H9NO3/c1-11-5-4-8-6(9)2-3-7(8)10/h2-3H,4-5H2,1H3
• InChIKey: ASUGWWOMVNVWAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03425057
• PubChem SID: 164286529
• PubChem CID: 2759573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.45920238
• LogD (pH = 7.4): -0.45920238
• Log P: -0.45920238
• Molar Refractivity: 39.2916 cm^3
• Polarizability: 14.704344 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.275

Product Information

• Purity: 95%