tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate

C15H23NO3 — CID 176829524

IUPACtert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCC1C(=O)C=CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H23NO3/c1-11-12(17)5-6-15(11)7-9-16(10-8-15)13(18)19-14(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyUEMPUJUGRHHJCD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.78
Rot. Bonds

About tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate

tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate (PubChem CID 176829524) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
PubChem CID176829524
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCC1C(=O)C=CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H23NO3/c1-11-12(17)5-6-15(11)7-9-16(10-8-15)13(18)19-14(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyUEMPUJUGRHHJCD-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829956
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
4-(2,5-dioxopyrrol-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 134249561
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
8-O-tert-butyl 4-O-methyl 2-fluoro-3-oxo-8-azaspiro[4.5]dec-1-ene-4,8-dicarboxylate
CID 177162747
tert-butyl 2-oxo-9-azaspiro[4.6]undec-3-ene-9-carboxylate
CID 176830115
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10358229
tert-butyl (1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 166776803
tert-butyl 6-methyl-2-oxospiro[1,6-dihydrocyclohepta[b]pyrrole-3,4'-piperidine]-1'-carboxylate
CID 142054640
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
The IUPAC name of tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate (CID 176829524) is tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate is CC1C(=O)C=CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
The InChIKey is UEMPUJUGRHHJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-12(17)5-6-15(11)7-9-16(10-8-15)13(18)19-14(2,3)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate is sourced from PubChem (CID 176829524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).