4-{[(4E)-2,5-dioxo-1-propylimidazolidin-4-ylidene]methyl}benzonitrile

4-{[(4E)-2,5-dioxo-1-propylimidazolidin-4-ylidene]methyl}benzonitrile

Formula: C14H13N3O2

SMILES: CCCN1C(=O)NC(=CC2=CC=C(C=C2)C#N)C1=O

IUPAC: 4-{[(4E)-2,5-dioxo-1-propylimidazolidin-4-ylidene]methyl}benzonitrile

InChI: InChI=1S/C14H13N3O2/c1-2-7-17-13(18)12(16-14(17)19)8-10-3-5-11(9-15)6-4-10/h3-6,8H,2,7H2,1H3,(H,16,19)/b12-8+

Composition: C (65.87%), H (5.13%), N (16.46%), O (12.53%)

Molar Mass: 255.277

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.100776671
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	REKISOSBDZLRHV-XYOKQWHBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.62
Topological Polar Surface Area	73.2
Polarizability	26.5
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00