1',2'-dihydrospiro[cyclohexane-1,3'-indole]

• ChemBase ID: 275883
• Molecular Formular: C13H17N
• Molecular Mass: 187.28078
• Monoisotopic Mass: 187.13609955
• SMILES: N1c2c(C3(C1)CCCCC3)cccc2
• Canonical SMILES: C1CCC2(CC1)CNc1c2cccc1
• InChI: InChI=1S/C13H17N/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13/h2-3,6-7,14H,1,4-5,8-10H2
• InChIKey: RCCSQDBNKNGWCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1',2'-dihydrospiro[cyclohexane-1,3'-indole]
• IUPAC Traditional name: 1',2'-dihydrospiro[cyclohexane-1,3'-indole]
• Synonyms: 1',2'-dihydrospiro[cyclohexane-1,3'-indole]

Database IDs

• MDL Number: MFCD19381973
• PubChem SID: 164331793
• PubChem CID: 13418476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0601182
• LogD (pH = 7.4): 3.0983562
• Log P: 3.0988662
• Molar Refractivity: 60.4319 cm^3
• Polarizability: 22.855034 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.767

Product Information

• Purity: 95%