tert-butyl (3Z)-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate

tert-butyl (3Z)-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate

CAS: 157327-41-8

Formula: C13H22N2O3

SMILES: CN(C)C=C1CN(CCC1=O)C(=O)OC(C)(C)C

IUPAC: tert-butyl (3Z)-3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate

InChI: InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-7-6-11(16)10(9-15)8-14(4)5/h8H,6-7,9H2,1-5H3/b10-8-

Composition: C (61.39%), H (8.72%), N (11.01%), O (18.87%)

Molar Mass: 254.33

Atom Count: 40

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	254.163042576
Formal Charge	0
FSP3	0.69
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YUSMZDVTEOAHDL-NTMALXAHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.25
Topological Polar Surface Area	49.85
Polarizability	26.84
Ring Count	1
Rotatable Bond Count	3

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