1-pentylpyrrolidin-2-one

• ChemBase ID: 804967
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: N1(C(=O)CCC1)CCCCC
• Canonical SMILES: CCCCCN1CCCC1=O
• InChI: InChI=1S/C9H17NO/c1-2-3-4-7-10-8-5-6-9(10)11/h2-8H2,1H3
• InChIKey: NNFAFRAQHBRBCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-pentylpyrrolidin-2-one
• IUPAC Traditional name: 1-pentylpyrrolidin-2-one
• Synonyms: 1-PENTYLPYRROLIDIN-2-ONE

Database IDs

• CAS Number: 65032-11-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4125344
• LogD (pH = 7.4): 1.4125345
• Log P: 1.4125345
• Molar Refractivity: 45.6292 cm^3
• Polarizability: 17.784136 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%