tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate

C13H19NO3 — CID 176544846

IUPACtert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC=CC2=O)C1
InChIInChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-8-13(9-14)7-5-4-6-10(13)15/h4,6H,5,7-9H2,1-3H3
InChIKeyKEKJNNGWWDOUSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.14
Rot. Bonds

About tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate

tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate (PubChem CID 176544846) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate
PubChem CID176544846
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC=CC2=O)C1
InChIInChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-8-13(9-14)7-5-4-6-10(13)15/h4,6H,5,7-9H2,1-3H3
InChIKeyKEKJNNGWWDOUSI-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 3-oxospiro[4,5-dihydro-2H-indene-1,4'-piperidine]-1'-carboxylate
CID 22070693
tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate
CID 170352267
tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate
CID 11390503
tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
CID 131407351
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;spiro[3.3]heptan-2-one;2,2,2-trifluoroacetaldehyde
CID 165071041
tert-butyl 2,5-dihydropyrrole-1-carboxylate;ethane
CID 143412058
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate
CID 146542247
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate?
The IUPAC name of tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate (CID 176544846) is tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate.
What is the SMILES notation for tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate?
The canonical SMILES for tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCC=CC2=O)C1.
What is the InChIKey of tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate?
The InChIKey is KEKJNNGWWDOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-8-13(9-14)7-5-4-6-10(13)15/h4,6H,5,7-9H2,1-3H3.
What are the key properties of tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate?
tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate is sourced from PubChem (CID 176544846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).