NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-amino-1-oxo-1H,5H,10H,10aH-pyrrolo[1,2-b]isoquinoline-2-carbonitrile
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IUPAC Traditional name
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3-amino-1-oxo-5H,10H,10aH-pyrrolo[1,2-b]isoquinoline-2-carbonitrile
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Synonyms
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3-amino-1-oxo-1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinoline-2-carbonitrile
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.429423
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.47807676
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LogD (pH = 7.4)
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-1.1655931
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Log P
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1.5810139
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Molar Refractivity
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73.645 cm3
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Polarizability
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23.703835 Å3
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Polar Surface Area
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70.12 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent