6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one

C13H24N2O — CID 106021485

IUPAC6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCC(CCC)N1CNC2(CC2)C1=O
InChIInChI=1S/C13H24N2O/c1-3-5-7-11(6-4-2)15-10-14-13(8-9-13)12(15)16/h11,14H,3-10H2,1-2H3
InChIKeyALLFUOHHKMGHHZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.27
Rot. Bonds6

About 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one

6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 106021485) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID106021485
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCC(CCC)N1CNC2(CC2)C1=O
InChIInChI=1S/C13H24N2O/c1-3-5-7-11(6-4-2)15-10-14-13(8-9-13)12(15)16/h11,14H,3-10H2,1-2H3
InChIKeyALLFUOHHKMGHHZ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263250
6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 130935250
5-butyl-3-octan-4-ylimidazolidin-4-one
CID 106021472
1-octan-4-ylpiperazine-2,5-dione
CID 106027657
6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255509
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
3-decyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83270884
1-nonan-4-ylpiperazin-2-one
CID 129260157
7-octan-4-yl-1,7-diazaspiro[3.5]nonane
CID 134177848
6-(3-methylsulfanylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256993
1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106021182

Frequently Asked Questions

What is the IUPAC name of 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 106021485) is 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one is CCCCC(CCC)N1CNC2(CC2)C1=O.
What is the InChIKey of 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ALLFUOHHKMGHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-7-11(6-4-2)15-10-14-13(8-9-13)12(15)16/h11,14H,3-10H2,1-2H3.
What are the key properties of 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 224.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 106021485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).