1-cyclopropylimidazolidin-2-one

• ChemBase ID: 241393
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: N1(C(=O)NCC1)C1CC1
• Canonical SMILES: O=C1NCCN1C1CC1
• InChI: InChI=1S/C6H10N2O/c9-6-7-3-4-8(6)5-1-2-5/h5H,1-4H2,(H,7,9)
• InChIKey: GWIBJFQSKXTOLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylimidazolidin-2-one
• IUPAC Traditional name: 1-cyclopropylimidazolidin-2-one
• Synonyms: 1-cyclopropylimidazolidin-2-one

Database IDs

• MDL Number: MFCD19219176
• PubChem SID: 164297303
• PubChem CID: 53936882

CALCULATED PROPERTIES

• Acid pKa: 14.137797
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3987661
• LogD (pH = 7.4): -0.39876613
• Log P: -0.39876607
• Molar Refractivity: 33.0749 cm^3
• Polarizability: 12.700802 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.402

Product Information

• Purity: 95%