7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C11H16N2O3 — CID 112598884

IUPAC7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(C)CCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-7(2)3-6-13-9(15)11(4-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyROQSUUAEAACGGB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.89
Rot. Bonds3

About 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112598884) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112598884
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(C)CCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-7(2)3-6-13-9(15)11(4-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16)
InChIKeyROQSUUAEAACGGB-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-(3-methylsulfanylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600864
7-[3-(dimethylamino)propyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598522
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide
CID 106338299
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598571
7-(2-piperidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115947575
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600986
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599604
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112598884) is 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CC(C)CCN1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is ROQSUUAEAACGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)3-6-13-9(15)11(4-5-11)8(14)12-10(13)16/h7H,3-6H2,1-2H3,(H,12,14,16).
What are the key properties of 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 224.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112598884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).