ethyl 2-[(2E)-azepan-2-ylidene]-2-cyanoacetate

ethyl 2-[(2E)-azepan-2-ylidene]-2-cyanoacetate

Formula: C11H16N2O2

SMILES: CCOC(=O)C(C#N)=C1/CCCCCN1

IUPAC: ethyl 2-[(2E)-azepan-2-ylidene]-2-cyanoacetate

InChI: InChI=1S/C11H16N2O2/c1-2-15-11(14)9(8-12)10-6-4-3-5-7-13-10/h13H,2-7H2,1H3/b10-9+

Composition: C (63.44%), H (7.74%), N (13.45%), O (15.36%)

Molar Mass: 208.261

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	208.121177763
Formal Charge	0
FSP3	0.64
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OIIXRHZKCPKQIV-MDZDMXLPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.09
Topological Polar Surface Area	62.12
Polarizability	21.78
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H16N2O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00