tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate

C16H24N2O3 — CID 171814919

IUPACtert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate
SMILESCN(C)C=C=C1C(=O)C2(CCN1C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)18-11-9-16(7-8-16)13(19)12(18)6-10-17(4)5/h10H,7-9,11H2,1-5H3
InChIKeyCZUUBRPSYKIPPV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 171814919) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID171814919
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate
SMILESCN(C)C=C=C1C(=O)C2(CCN1C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)18-11-9-16(7-8-16)13(19)12(18)6-10-17(4)5/h10H,7-9,11H2,1-5H3
InChIKeyCZUUBRPSYKIPPV-UHFFFAOYSA-N
XLogP2.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
CID 139533484
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CID 123959315
tert-butyl 3-(4-chlorophenyl)-3-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 141120401
1-O-tert-butyl 3-O-methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidine-1,3-dicarboxylate
CID 146435090
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 2-oxo-7-azaspiro[3.5]non-5-ene-7-carboxylate
CID 170693343
tert-butyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 66523359
tert-butyl 4-(dimethylamino)-4-(trifluoromethyl)piperidine-1-carboxylate
CID 134818881
tert-butyl 5-formyl-4-propan-2-yl-2,3-dihydropyrrole-1-carboxylate
CID 123425899
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
tert-butyl 7-cyano-9,9-dimethyl-8-oxo-2-azaspiro[4.4]non-6-ene-2-carboxylate
CID 162441717
1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate
CID 58783948

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate (CID 171814919) is tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate is CN(C)C=C=C1C(=O)C2(CCN1C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is CZUUBRPSYKIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)21-14(20)18-11-9-16(7-8-16)13(19)12(18)6-10-17(4)5/h10H,7-9,11H2,1-5H3.
What are the key properties of tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-(dimethylamino)ethenylidene]-8-oxo-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 171814919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).