NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-oxo-3-[3-(1H-pyrrol-1-yl)thiophen-2-yl]propanenitrile
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IUPAC Traditional name
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3-oxo-3-[3-(pyrrol-1-yl)thiophen-2-yl]propanenitrile
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Synonyms
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3-oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]propanenitrile
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3-Oxo-3-[3-(1H-pyrrol-1-yl)-2-thienyl]-propanenitrile
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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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12.215422
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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1.3898
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LogD (pH = 7.4)
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1.3897934
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Log P
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1.3898
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Molar Refractivity
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68.4265 cm3
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Polarizability
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22.386715 Å3
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Polar Surface Area
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45.79 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent