2-cyclopropyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]pyrrolidin-3-yl}methyl)acetamide

• ChemBase ID: 829515
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: N1(C/C(=C/C)/C)CC(CNC(=O)CC2CC2)CC1
• Canonical SMILES: C/C=C(/CN1CCC(C1)CNC(=O)CC1CC1)\C
• InChI: InChI=1S/C15H26N2O/c1-3-12(2)10-17-7-6-14(11-17)9-16-15(18)8-13-4-5-13/h3,13-14H,4-11H2,1-2H3,(H,16,18)/b12-3+
• InChIKey: RMHFLFAEAIKYLZ-KGVSQERTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]pyrrolidin-3-yl}methyl)acetamide
• IUPAC Traditional name: 2-cyclopropyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]pyrrolidin-3-yl}methyl)acetamide
• Synonyms: 2-cyclopropyl-N-({1-[(2E)-2-methylbut-2-en-1-yl]pyrrolidin-3-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.308453
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6707388
• LogD (pH = 7.4): -0.16558188
• Log P: 1.6074265
• Molar Refractivity: 76.0244 cm^3
• Polarizability: 29.398012 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.07
• LOG S: -2.79
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6