1-cyclohexyl-1H-pyrrole

• ChemBase ID: 289814
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: n1(C2CCCCC2)cccc1
• Canonical SMILES: C1CCC(CC1)n1cccc1
• InChI: InChI=1S/C10H15N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,8-10H,1-3,6-7H2
• InChIKey: POWPPIRAMRAEHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-1H-pyrrole
• IUPAC Traditional name: 1-cyclohexylpyrrole
• Synonyms: 1-Cyclohexyl-1H-pyrrole

Database IDs

• CAS Number: 31708-14-2
• PubChem SID: 180675345
• PubChem CID: 13899605

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0760765
• LogD (pH = 7.4): 3.0760765
• Log P: 3.0760765
• Molar Refractivity: 46.7277 cm^3
• Polarizability: 18.29841 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%