2,2-bis(prop-2-en-1-yl)pyrrolidine

• ChemBase ID: 14283
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: C1(CCCN1)(CC=C)CC=C
• Canonical SMILES: C=CCC1(CC=C)CCCN1
• InChI: InChI=1S/C10H17N/c1-3-6-10(7-4-2)8-5-9-11-10/h3-4,11H,1-2,5-9H2
• InChIKey: NCGZTZMXOLYPSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis(prop-2-en-1-yl)pyrrolidine
• IUPAC Traditional name: 2,2-bis(prop-2-en-1-yl)pyrrolidine
• Synonyms: 2,2-Diallylpyrrolidine; 2,2-diallylpyrrolidine; 2,2-Diallyl-pyrrolidine

Database IDs

• CAS Number: 40162-97-8
• MDL Number: MFCD02188353
• PubChem SID: 160977590
• PubChem CID: 573606

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0051206
• LogD (pH = 7.4): -0.95877373
• Log P: 2.2362769
• Molar Refractivity: 49.6296 cm^3
• Polarizability: 19.524857 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H17N

DETAILS

Sigma Aldrich - CBR00432

Other Notes
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Legal Information
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