1-[2-(2-methoxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 273769
• Molecular Formular: C9H13NO4
• Molecular Mass: 199.20382
• Monoisotopic Mass: 199.0844579
• SMILES: N1(C(=O)C=CC1=O)CCOCCOC
• Canonical SMILES: COCCOCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C9H13NO4/c1-13-6-7-14-5-4-10-8(11)2-3-9(10)12/h2-3H,4-7H2,1H3
• InChIKey: SXUGMTRUWIBRPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-methoxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
• Synonyms: 1-[2-(2-methoxyethoxy)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione

Database IDs

• MDL Number: MFCD09032943
• PubChem SID: 164329679
• PubChem CID: 15667717

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5061779
• LogD (pH = 7.4): -0.5061779
• Log P: -0.5061779
• Molar Refractivity: 50.3351 cm^3
• Polarizability: 19.096981 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.271

Product Information

• Purity: 95%