3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]

• ChemBase ID: 309020
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: c12n(ccc2)CCNC21CCCC2
• Canonical SMILES: C1CCC2(C1)NCCn1c2ccc1
• InChI: InChI=1S/C11H16N2/c1-2-6-11(5-1)10-4-3-8-13(10)9-7-12-11/h3-4,8,12H,1-2,5-7,9H2
• InChIKey: GVGZDJBTVHBYHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
• IUPAC Traditional name: 3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
• Synonyms: 3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]

Database IDs

• CAS Number: 1210719-18-8
• MDL Number: MFCD11868482

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0280813
• LogD (pH = 7.4): 0.5972645
• Log P: 1.8621016
• Molar Refractivity: 53.1728 cm^3
• Polarizability: 20.922562 Å^3
• Polar Surface Area: 16.96 Å^2