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

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

CAS: 157327-42-9

Formula: C12H20N2O3

SMILES: CN(C)C=C1CN(CC1=O)C(=O)OC(C)(C)C

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

InChI: InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-7-9(6-13(4)5)10(15)8-14/h6H,7-8H2,1-5H3

Composition: C (59.98%), H (8.39%), N (11.66%), O (19.97%)

Molar Mass: 240.303

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 240.147392512
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NICVZJAVRBPUME-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.55
Topological Polar Surface Area 49.85
Polarizability 25
Ring Count 1
Rotatable Bond Count 3

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