9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C13H20N2O4 — CID 112599761

IUPAC9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCOCCCCN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-19-9-5-4-8-15-11(17)13(6-2-3-7-13)10(16)14-12(15)18/h2-9H2,1H3,(H,14,16,18)
InChIKeyUAFFECOQVUDZAA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.05
Rot. Bonds5

About 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 112599761) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID112599761
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCOCCCCN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C13H20N2O4/c1-19-9-5-4-8-15-11(17)13(6-2-3-7-13)10(16)14-12(15)18/h2-9H2,1H3,(H,14,16,18)
InChIKeyUAFFECOQVUDZAA-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 112599761) is 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is COCCCCN1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is UAFFECOQVUDZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-19-9-5-4-8-15-11(17)13(6-2-3-7-13)10(16)14-12(15)18/h2-9H2,1H3,(H,14,16,18).
What are the key properties of 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 268.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 112599761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).