ethane;7-methyl-5-azaspiro[3.4]octan-6-one

C12H25NO — CID 167482346

IUPACethane;7-methyl-5-azaspiro[3.4]octan-6-one
SMILESCC.CC.CC1CC2(CCC2)NC1=O
InChIInChI=1S/C8H13NO.2C2H6/c1-6-5-8(3-2-4-8)9-7(6)10;2*1-2/h6H,2-5H2,1H3,(H,9,10);2*1-2H3
InChIKeyKNFGMRQQADZHJB-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds

About ethane;7-methyl-5-azaspiro[3.4]octan-6-one

ethane;7-methyl-5-azaspiro[3.4]octan-6-one (PubChem CID 167482346) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;7-methyl-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Nameethane;7-methyl-5-azaspiro[3.4]octan-6-one
PubChem CID167482346
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;7-methyl-5-azaspiro[3.4]octan-6-one
SMILESCC.CC.CC1CC2(CCC2)NC1=O
InChIInChI=1S/C8H13NO.2C2H6/c1-6-5-8(3-2-4-8)9-7(6)10;2*1-2/h6H,2-5H2,1H3,(H,9,10);2*1-2H3
InChIKeyKNFGMRQQADZHJB-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
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
3,5,5,6,6-pentamethylpiperidin-2-one
CID 138971121
6-tert-butyl-4-azaspiro[2.4]heptan-5-one
CID 176748815
ethane;2-methyl-1-azaspiro[3.4]octane
CID 162433156
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044
4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]
CID 5213420
3,5,6,6-tetramethylpiperidin-2-one
CID 170011780
ethane;3-methyl-1,3-diazaspiro[4.4]nonan-2-one
CID 171546456
5-azaspiro[3.5]nonan-6-one
CID 138987434
7-methyl-1-azaspiro[3.6]decan-2-one
CID 65082939
9-oxa-6-azaspiro[4.5]decan-7-one
CID 130769444

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-5-azaspiro[3.4]octan-6-one?
The IUPAC name of ethane;7-methyl-5-azaspiro[3.4]octan-6-one (CID 167482346) is ethane;7-methyl-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for ethane;7-methyl-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for ethane;7-methyl-5-azaspiro[3.4]octan-6-one is CC.CC.CC1CC2(CCC2)NC1=O.
What is the InChIKey of ethane;7-methyl-5-azaspiro[3.4]octan-6-one?
The InChIKey is KNFGMRQQADZHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.2C2H6/c1-6-5-8(3-2-4-8)9-7(6)10;2*1-2/h6H,2-5H2,1H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;7-methyl-5-azaspiro[3.4]octan-6-one?
ethane;7-methyl-5-azaspiro[3.4]octan-6-one has a molecular weight of 199.34 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 167482346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).