1-cyclopropylpiperazin-2-one

• ChemBase ID: 286325
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: N1(C2CC2)C(=O)CNCC1
• Canonical SMILES: O=C1CNCCN1C1CC1
• InChI: InChI=1S/C7H12N2O/c10-7-5-8-3-4-9(7)6-1-2-6/h6,8H,1-5H2
• InChIKey: YXPXCDLNZHHGNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 907972-23-0
• MDL Number: MFCD07373409
• PubChem SID: 180671856
• PubChem CID: 53414037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3352368
• LogD (pH = 7.4): -0.94118106
• Log P: -0.78044605
• Molar Refractivity: 37.6358 cm^3
• Polarizability: 14.909609 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.413

Product Information

• Purity: 95%; 98%