1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 260051
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: N1(C(=O)C=CC1=O)CCCN1CCOCC1
• Canonical SMILES: O=C1C=CC(=O)N1CCCN1CCOCC1
• InChI: InChI=1S/C11H16N2O3/c14-10-2-3-11(15)13(10)5-1-4-12-6-8-16-9-7-12/h2-3H,1,4-9H2
• InChIKey: PHCWEEXJHFRGRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-[3-(morpholin-4-yl)propyl]pyrrole-2,5-dione
• Synonyms: 1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrole-2,5-dione

Database IDs

• MDL Number: MFCD11644930
• PubChem SID: 164315961
• PubChem CID: 218321

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.64374465
• Log P: -0.55212307
• Molar Refractivity: 60.2071 cm^3
• Polarizability: 22.830708 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8432413

PROPERTIES

Physical Property

• Melting Point: 39 - 41°C
• Hydrophobicity(logP): 0.202

Product Information

• Purity: 95%