3-methyl-4-(2-oxopiperidin-1-yl)benzonitrile

3-methyl-4-(2-oxopiperidin-1-yl)benzonitrile

Formula: C13H14N2O

SMILES: CC1=C(C=CC(=C1)C#N)N1CCCCC1=O

IUPAC: 3-methyl-4-(2-oxopiperidin-1-yl)benzonitrile

InChI: InChI=1S/C13H14N2O/c1-10-8-11(9-14)5-6-12(10)15-7-3-2-4-13(15)16/h5-6,8H,2-4,7H2,1H3

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	2
Hydrogen Bond Donor Count	0
InChIKey	PHRQAPAKKLDBLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.3
Topological Polar Surface Area	44.1
Polarizability	23.6
Ring Count	2
Rotatable Bond Count	1

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C13H14N2O		$840.00-$2,531.00$840.00$1,541.00$2,531.00