ethyl (2E)-2-[(dimethylamino)methylidene]-3-oxobutanoate

ethyl (2E)-2-[(dimethylamino)methylidene]-3-oxobutanoate

CAS: 51145-57-4

Formula: C9H15NO3

SMILES: CCOC(=O)C(=CN(C)C)C(C)=O

IUPAC: ethyl (2E)-2-[(dimethylamino)methylidene]-3-oxobutanoate

InChI: InChI=1S/C9H15NO3/c1-5-13-9(12)8(7(2)11)6-10(3)4/h6H,5H2,1-4H3/b8-6+

Composition: C (58.36%), H (8.16%), N (7.56%), O (25.91%)

Molar Mass: 185.223

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	185.105193347
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LQSOVGAUOHMPLK-SOFGYWHQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.14
Topological Polar Surface Area	46.61
Polarizability	19.07
Ring Count	0
Rotatable Bond Count	5

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