6-tert-butyl-4-azaspiro[2.4]heptan-5-one

C10H17NO — CID 176748815

IUPAC6-tert-butyl-4-azaspiro[2.4]heptan-5-one
SMILESCC(C)(C)C1CC2(CC2)NC1=O
InChIInChI=1S/C10H17NO/c1-9(2,3)7-6-10(4-5-10)11-8(7)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyYTYSBFMAJJLFOB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds

About 6-tert-butyl-4-azaspiro[2.4]heptan-5-one

6-tert-butyl-4-azaspiro[2.4]heptan-5-one (PubChem CID 176748815) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 6-tert-butyl-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name6-tert-butyl-4-azaspiro[2.4]heptan-5-one
PubChem CID176748815
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name6-tert-butyl-4-azaspiro[2.4]heptan-5-one
SMILESCC(C)(C)C1CC2(CC2)NC1=O
InChIInChI=1S/C10H17NO/c1-9(2,3)7-6-10(4-5-10)11-8(7)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyYTYSBFMAJJLFOB-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-methyl-4-azaspiro[2.4]heptan-5-one
CID 168941939
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225
ethane;7-methyl-5-azaspiro[3.4]octan-6-one
CID 167482346
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044
(7S)-7-hydroxy-4-azaspiro[2.5]octan-5-one
CID 129499410
3-tert-butylpyrrolidin-2-one
CID 23448210
7-tert-butyl-1-azaspiro[3.5]nonan-2-one
CID 64663866
5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one
CID 162351710
2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
CID 167481421
2-tert-butyl-1,4-diazaspiro[4.6]undecan-3-one
CID 91400663
7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one
CID 167425006
(2S)-2-[[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-4,4-dimethyl-N-[(2R)-1-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]propan-2-yl]pentanamide
CID 166840380

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of 6-tert-butyl-4-azaspiro[2.4]heptan-5-one (CID 176748815) is 6-tert-butyl-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 6-tert-butyl-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 6-tert-butyl-4-azaspiro[2.4]heptan-5-one is CC(C)(C)C1CC2(CC2)NC1=O.
What is the InChIKey of 6-tert-butyl-4-azaspiro[2.4]heptan-5-one?
The InChIKey is YTYSBFMAJJLFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2,3)7-6-10(4-5-10)11-8(7)12/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 6-tert-butyl-4-azaspiro[2.4]heptan-5-one?
6-tert-butyl-4-azaspiro[2.4]heptan-5-one has a molecular weight of 167.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 176748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).