1,3-dihydrospiro[indene-2,3'-pyrrolidine]

• ChemBase ID: 244507
• Molecular Formular: C12H15N
• Molecular Mass: 173.2542
• Monoisotopic Mass: 173.12044949
• SMILES: C12(Cc3c(C1)cccc3)CNCC2
• Canonical SMILES: C1NCC2(C1)Cc1c(C2)cccc1
• InChI: InChI=1S/C12H15N/c1-2-4-11-8-12(5-6-13-9-12)7-10(11)3-1/h1-4,13H,5-9H2
• InChIKey: KKIJUZNAECTSAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dihydrospiro[indene-2,3'-pyrrolidine]
• IUPAC Traditional name: 1,3-dihydrospiro[indene-2,3'-pyrrolidine]
• Synonyms: 1,3-dihydrospiro[indene-2,3'-pyrrolidine]

Database IDs

• MDL Number: MFCD16737808
• PubChem SID: 164300417
• PubChem CID: 62355174

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1005218
• LogD (pH = 7.4): -0.96075994
• Log P: 2.1393921
• Molar Refractivity: 54.4381 cm^3
• Polarizability: 21.332842 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.168

Product Information

• Purity: 95%