2-methyl-4-(2-oxopyrrolidin-1-yl)benzonitrile

2-methyl-4-(2-oxopyrrolidin-1-yl)benzonitrile

Formula: C12H12N2O

SMILES: CC1=C(C=CC(=C1)N1CCCC1=O)C#N

IUPAC: 2-methyl-4-(2-oxopyrrolidin-1-yl)benzonitrile

InChI: InChI=1S/C12H12N2O/c1-9-7-11(5-4-10(9)8-13)14-6-2-3-12(14)15/h4-5,7H,2-3,6H2,1H3

Composition: C (71.98%), H (6.04%), N (13.99%), O (7.99%)

Molar Mass: 200.241

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.094963014
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QZXGEIKXHOTEJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.7
Topological Polar Surface Area	44.1
Polarizability	21.75
Ring Count	2
Rotatable Bond Count	1

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C12H12N2O		$665.00-$2,530.00$665.00$900.00$2,530.00