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

C11H16N2O4 — CID 112598571

IUPAC7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCOCCCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-2-17-7-3-6-13-9(15)11(4-5-11)8(14)12-10(13)16/h2-7H2,1H3,(H,12,14,16)
InChIKeyUWHPDBVYQQYSJU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.27
Rot. Bonds5

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

7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112598571) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112598571
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCOCCCN1C(=O)NC(=O)C2(CC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-2-17-7-3-6-13-9(15)11(4-5-11)8(14)12-10(13)16/h2-7H2,1H3,(H,12,14,16)
InChIKeyUWHPDBVYQQYSJU-UHFFFAOYSA-N
XLogP0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(2-butoxyethyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947657
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
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
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
N-[3-(4,6,8-trioxo-5,7-diazaspiro[2.5]octan-7-yl)propyl]methanesulfonamide
CID 106338299
7-(3-pyrrolidin-1-ylpropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948116
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599604
N-[3-(5,7,9-trioxo-6,8-diazaspiro[3.5]nonan-8-yl)propyl]methanesulfonamide
CID 106338301

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112598571) is 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CCOCCCN1C(=O)NC(=O)C2(CC2)C1=O.
What is the InChIKey of 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is UWHPDBVYQQYSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-17-7-3-6-13-9(15)11(4-5-11)8(14)12-10(13)16/h2-7H2,1H3,(H,12,14,16).
What are the key properties of 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 240.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethoxypropyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112598571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).