3-oxo-3-[4-(pyrrolidin-1-yl)phenyl]propanenitrile

3-oxo-3-[4-(pyrrolidin-1-yl)phenyl]propanenitrile

CAS: 887595-01-9

Formula: C13H14N2O

SMILES: O=C(CC#N)C1=CC=C(C=C1)N1CCCC1

IUPAC: 3-oxo-3-[4-(pyrrolidin-1-yl)phenyl]propanenitrile

InChI: InChI=1S/C13H14N2O/c14-8-7-13(16)11-3-5-12(6-4-11)15-9-1-2-10-15/h3-6H,1-2,7,9-10H2

Composition: C (72.87%), H (6.59%), N (13.07%), O (7.47%)

Molar Mass: 214.268

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.110613079
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MQEWNXVQQGJDKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.75
Topological Polar Surface Area	44.1
Polarizability	23.52
Ring Count	2
Rotatable Bond Count	3

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Key Organics Ltd

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95%	<2 Days	887595-01-9		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06

Struchem co.,ltd

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