1-(but-3-en-1-yl)pyrrolidine

• ChemBase ID: 106886
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C=CCCN1CCCC1
• Canonical SMILES: C=CCCN1CCCC1
• InChI: InChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h2H,1,3-8H2
• InChIKey: FOUQITQNYKZCHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(but-3-en-1-yl)pyrrolidine
• IUPAC Traditional name: 1-(but-3-en-1-yl)pyrrolidine
• Synonyms: N-BUTYLENEPYRROLIDINE

Database IDs

• PubChem SID: 162105635
• PubChem CID: 250707

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.8693519
• LogD (pH = 7.4): -1.2824558
• Log P: 1.615878
• Molar Refractivity: 41.4468 cm^3
• Polarizability: 16.06087 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• Risk Statements: R:10-34
• Safety Statements: S:16-26-27/28-36/37/39-46-64

DETAILS

MP Biomedicals - 05201775

MP Biomedicals Rare Chemical collection