ethane;6-methyl-4-azaspiro[2.4]heptan-5-one

C9H17NO — CID 168941939

IUPACethane;6-methyl-4-azaspiro[2.4]heptan-5-one
SMILESCC.CC1CC2(CC2)NC1=O
InChIInChI=1S/C7H11NO.C2H6/c1-5-4-7(2-3-7)8-6(5)9;1-2/h5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyVCKHLAAYJOGBPZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds

About ethane;6-methyl-4-azaspiro[2.4]heptan-5-one

ethane;6-methyl-4-azaspiro[2.4]heptan-5-one (PubChem CID 168941939) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;6-methyl-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Nameethane;6-methyl-4-azaspiro[2.4]heptan-5-one
PubChem CID168941939
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;6-methyl-4-azaspiro[2.4]heptan-5-one
SMILESCC.CC1CC2(CC2)NC1=O
InChIInChI=1S/C7H11NO.C2H6/c1-5-4-7(2-3-7)8-6(5)9;1-2/h5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyVCKHLAAYJOGBPZ-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;7-methyl-5-azaspiro[3.4]octan-6-one
CID 167482346
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
CID 167481225
6-tert-butyl-4-azaspiro[2.4]heptan-5-one
CID 176748815
3,5,5,6,6-pentamethylpiperidin-2-one
CID 138971121
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044
3,5,6,6-tetramethylpiperidin-2-one
CID 170011780
2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
CID 167481421
(7S)-7-hydroxy-4-azaspiro[2.5]octan-5-one
CID 129499410
ethane;6-methyl-5-azaspiro[2.4]heptan-4-one
CID 178006224
ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one
CID 167425006
(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413407

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of ethane;6-methyl-4-azaspiro[2.4]heptan-5-one (CID 168941939) is ethane;6-methyl-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for ethane;6-methyl-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for ethane;6-methyl-4-azaspiro[2.4]heptan-5-one is CC.CC1CC2(CC2)NC1=O.
What is the InChIKey of ethane;6-methyl-4-azaspiro[2.4]heptan-5-one?
The InChIKey is VCKHLAAYJOGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-5-4-7(2-3-7)8-6(5)9;1-2/h5H,2-4H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;6-methyl-4-azaspiro[2.4]heptan-5-one?
ethane;6-methyl-4-azaspiro[2.4]heptan-5-one has a molecular weight of 155.24 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 ethane;6-methyl-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 168941939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).