1,1-dimethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

• ChemBase ID: 308942
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: c12n(ccc2)CCNC1(C)C
• Canonical SMILES: CC1(C)NCCn2c1ccc2
• InChI: InChI=1S/C9H14N2/c1-9(2)8-4-3-6-11(8)7-5-10-9/h3-4,6,10H,5,7H2,1-2H3
• InChIKey: RBRFIMQHAPJDAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: 1,1-dimethyl-2H,3H,4H-pyrrolo[1,2-a]pyrazine
• Synonyms: 1,1-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

Database IDs

• CAS Number: 1215295-90-1
• MDL Number: MFCD11868481

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4996829
• LogD (pH = 7.4): 0.18385908
• Log P: 1.2807827
• Molar Refractivity: 45.927 cm^3
• Polarizability: 17.968483 Å^3
• Polar Surface Area: 16.96 Å^2