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

C10H19NO — CID 167481225

IUPACethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
SMILESCC.CCC1CC2(CC2)NC1=O
InChIInChI=1S/C8H13NO.C2H6/c1-2-6-5-8(3-4-8)9-7(6)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyQKZGCKYGDPFRAT-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds1

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

ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one (PubChem CID 167481225) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Nameethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
PubChem CID167481225
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;6-ethyl-4-azaspiro[2.4]heptan-5-one
SMILESCC.CCC1CC2(CC2)NC1=O
InChIInChI=1S/C8H13NO.C2H6/c1-2-6-5-8(3-4-8)9-7(6)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyQKZGCKYGDPFRAT-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-5,5-dimethylpyrrolidin-2-one
CID 167482044
ethane;6-methyl-4-azaspiro[2.4]heptan-5-one
CID 168941939
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044
2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
CID 167481421
6-tert-butyl-4-azaspiro[2.4]heptan-5-one
CID 176748815
ethane;7-methyl-5-azaspiro[3.4]octan-6-one
CID 167482346
7-(2,2-dimethylpropyl)-2,2-difluoro-5-azaspiro[3.4]octan-6-one
CID 167425006
2-amino-3-[8-(2,2-dimethylpropanoyl)-2-oxo-1,8-diazaspiro[4.5]decan-3-yl]-2-methylpropanoic acid;hydrochloride
CID 168861115
4-ethyl-1,2-oxazolidin-3-one
CID 153007906
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide
CID 166893698
methyl 2-amino-3-(2-oxo-8-oxa-1-azaspiro[4.5]decan-3-yl)propanoate;hydrochloride
CID 156884095
2-amino-2-methyl-3-(8-methylsulfonyl-2-oxo-1,8-diazaspiro[4.5]decan-3-yl)propanoic acid
CID 168861043

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one?
The IUPAC name of ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one (CID 167481225) is ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one?
The canonical SMILES for ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one is CC.CCC1CC2(CC2)NC1=O.
What is the InChIKey of ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one?
The InChIKey is QKZGCKYGDPFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-2-6-5-8(3-4-8)9-7(6)10;1-2/h6H,2-5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one?
ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one has a molecular weight of 169.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-4-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 167481225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).