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

• ChemBase ID: 308985
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: c12n(ccc2)CCNC21CCCCC2
• Canonical SMILES: C1CCC2(CC1)NCCn1c2ccc1
• InChI: InChI=1S/C12H18N2/c1-2-6-12(7-3-1)11-5-4-9-14(11)10-8-13-12/h4-5,9,13H,1-3,6-8,10H2
• InChIKey: OZCKMMNQSXHJHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1210513-03-3
• MDL Number: MFCD11868483

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.62148273
• LogD (pH = 7.4): 0.9751127
• Log P: 2.3066702
• Molar Refractivity: 57.7738 cm^3
• Polarizability: 22.768227 Å^3
• Polar Surface Area: 16.96 Å^2