3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one

C13H21NO — CID 162347068

IUPAC3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one
SMILESCC(C)(C)C1=CCC2(CCNCC2)C1=O
InChIInChI=1S/C13H21NO/c1-12(2,3)10-4-5-13(11(10)15)6-8-14-9-7-13/h4,14H,5-9H2,1-3H3
InChIKeyNZTRLOZXSIKYJL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds

About 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one

3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one (PubChem CID 162347068) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one
PubChem CID162347068
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one
SMILESCC(C)(C)C1=CCC2(CCNCC2)C1=O
InChIInChI=1S/C13H21NO/c1-12(2,3)10-4-5-13(11(10)15)6-8-14-9-7-13/h4,14H,5-9H2,1-3H3
InChIKeyNZTRLOZXSIKYJL-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one (CID 162347068) is 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one is CC(C)(C)C1=CCC2(CCNCC2)C1=O.
What is the InChIKey of 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one?
The InChIKey is NZTRLOZXSIKYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,3)10-4-5-13(11(10)15)6-8-14-9-7-13/h4,14H,5-9H2,1-3H3.
What are the key properties of 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one?
3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one has a molecular weight of 207.32 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-azaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 162347068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).