8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H17N3O3 — CID 42109420

IUPAC8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O3/c1-7(2)8(15)14-5-3-11(4-6-14)9(16)12-10(17)13-11/h7H,3-6H2,1-2H3,(H2,12,13,16,17)
InChIKeyAYGADTNBOUKICF-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds1

About 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 42109420) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID42109420
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O3/c1-7(2)8(15)14-5-3-11(4-6-14)9(16)12-10(17)13-11/h7H,3-6H2,1-2H3,(H2,12,13,16,17)
InChIKeyAYGADTNBOUKICF-UHFFFAOYSA-N
XLogP-0.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 42109420) is 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)C(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AYGADTNBOUKICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)8(15)14-5-3-11(4-6-14)9(16)12-10(17)13-11/h7H,3-6H2,1-2H3,(H2,12,13,16,17).
What are the key properties of 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42109420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).