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Search term: IHAOBFLMOIHARU (Found by InChIKey (skeleton match))

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- Double-bond stereo

(2E)-3-(2-Oxo-1-pyrrolidinyl)acrylonitrile

ChemSpider ID: 21407766
Molecular Formula: C₇H₈N₂O
Monoisotopic mass: 136.063995361328 Da
Systematic name

(2E)-3-(2-Oxo-1-pyrrolidinyl)acrylonitrile
SMILES and InChIs

SMILES:

N#C\C=C\N1CCCC1=O Copied

Std. InChI:

InChI=1S/C7H8N2O/c8-4-2-6-9-5-1-3-7(9)10/h2,6H,1,3,5H2/b6-2+ Copied

Std. InChIKey:

IHAOBFLMOIHARU-QHHAFSJGSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-0.008	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-0.01	ACD/LogD (pH 7.4):	-0.01
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	23.60	ACD/KOC (pH 7.4):	23.60
#H bond acceptors:	3	#H bond donors:	0
#Freely Rotating Bonds:	1	Polar Surface Area:	44.1 Å²
Index of Refraction:	1.635	Molar Refractivity:	37.803 cm³
Molar Volume:	105.546 cm³	Polarizability:	14.986 10^-24cm³
Surface Tension:	73.6880035400391 dyne/cm	Density:	1.29 g/cm³
Flash Point:	138.645 °C	Enthalpy of Vaporization:	54.61 kJ/mol
Boiling Point:	305.638 °C at 760 mmHg	Vapour Pressure:	0.00100000004749745 mmHg at 25°C

Click to predict properties on the Chemicalize site

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