2-(1-benzyl-5-oxopyrrolidin-2-yl)acetonitrile

2-(1-benzyl-5-oxopyrrolidin-2-yl)acetonitrile

CAS: 1272755-41-5

Formula: C13H14N2O

SMILES: O=C1CCC(CC#N)N1CC1=CC=CC=C1

IUPAC: 2-(1-benzyl-5-oxopyrrolidin-2-yl)acetonitrile

InChI: InChI=1/C13H14N2O/c14-9-8-12-6-7-13(16)15(12)10-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2

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	1
Exact Mass	214.110613079
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ALFHJBBHXKYUNR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.2
Topological Polar Surface Area	44.1
Polarizability	23.54
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1272755-41-5		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69