4-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-methanehydrazonoylcyclopent-1-en-1-yl]morpholine

• ChemBase ID: 230463
• Molecular Formular: C17H19Cl2N3O
• Molecular Mass: 352.25826
• Monoisotopic Mass: 351.0905176
• SMILES: C\1(=C\c2c(cc(cc2)Cl)Cl)/C(=C(CC1)/C=N/N)N1CCOCC1
• Canonical SMILES: N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(cc2Cl)Cl)/CC1
• InChI: InChI=1S/C17H19Cl2N3O/c18-15-4-3-12(16(19)10-15)9-13-1-2-14(11-21-20)17(13)22-5-7-23-8-6-22/h3-4,9-11H,1-2,5-8,20H2/b13-9+,21-11+
• InChIKey: NDOOCJACSVVAFT-WKOSEXDDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-methanehydrazonoylcyclopent-1-en-1-yl]morpholine
• IUPAC Traditional name: 4-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-methanehydrazonoylcyclopent-1-en-1-yl]morpholine
• Synonyms: [3-(2,4-Dichloro-benzylidene)-2-morpholin-4-yl-cyclopent-1-enylmethylene]-hydrazine

Database IDs

• MDL Number: MFCD06660652
• PubChem SID: 164286373
• PubChem CID: 9635405

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1818109
• LogD (pH = 7.4): 2.8711205
• Log P: 2.893247
• Molar Refractivity: 98.1344 cm^3
• Polarizability: 36.447456 Å^3
• Polar Surface Area: 50.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%