tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate

C16H25NO3 — CID 176829956

IUPACtert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12C=CC(=O)C2C
InChIInChI=1S/C16H25NO3/c1-11-10-17(14(19)20-15(3,4)5)9-8-16(11)7-6-13(18)12(16)2/h6-7,11-12H,8-10H2,1-5H3
InChIKeyVORDZHXUSYAVCZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.02
Rot. Bonds

About tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate

tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate (PubChem CID 176829956) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
PubChem CID176829956
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC12C=CC(=O)C2C
InChIInChI=1S/C16H25NO3/c1-11-10-17(14(19)20-15(3,4)5)9-8-16(11)7-6-13(18)12(16)2/h6-7,11-12H,8-10H2,1-5H3
InChIKeyVORDZHXUSYAVCZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate
CID 176829524
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl 4-amino-4-cyano-3-methylpiperidine-1-carboxylate
CID 130590170
tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893864
4-(2,5-dioxopyrrol-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 134249561
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
CID 162451549
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate
CID 176829864
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
The IUPAC name of tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate (CID 176829956) is tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
The canonical SMILES for tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC12C=CC(=O)C2C.
What is the InChIKey of tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
The InChIKey is VORDZHXUSYAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-10-17(14(19)20-15(3,4)5)9-8-16(11)7-6-13(18)12(16)2/h6-7,11-12H,8-10H2,1-5H3.
What are the key properties of tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate?
tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,6-dimethyl-3-oxo-8-azaspiro[4.5]dec-1-ene-8-carboxylate is sourced from PubChem (CID 176829956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).