(cyclodecylideneamino)urea

• ChemBase ID: 109132
• Molecular Formular: C11H21N3O
• Molecular Mass: 211.30394
• Monoisotopic Mass: 211.16846231
• SMILES: NC(=O)NN=C1CCCCCCCCC1
• Canonical SMILES: NC(=O)NN=C1CCCCCCCCC1
• InChI: InChI=1S/C11H21N3O/c12-11(15)14-13-10-8-6-4-2-1-3-5-7-9-10/h1-9H2,(H3,12,14,15)
• InChIKey: HAJKZLVHCPPGNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclodecylideneamino)urea
• IUPAC Traditional name: cyclodecylideneaminourea
• Synonyms: CYCLODECANONE SEMICARBAZONE

Database IDs

• PubChem SID: 162106242
• PubChem CID: 585832

CALCULATED PROPERTIES

• Acid pKa: 11.909108
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.355968
• LogD (pH = 7.4): 2.3561215
• Log P: 2.3561356
• Molar Refractivity: 60.2511 cm^3
• Polarizability: 23.335455 Å^3
• Polar Surface Area: 67.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209950

MP Biomedicals Rare Chemical collection