8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H17N3O3 — CID 42109419

IUPAC8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O3/c1-2-3-8(15)14-6-4-11(5-7-14)9(16)12-10(17)13-11/h2-7H2,1H3,(H2,12,13,16,17)
InChIKeyKQTKDTHZVCUCAR-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.01
Rot. Bonds2

About 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 42109419) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID42109419
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C11H17N3O3/c1-2-3-8(15)14-6-4-11(5-7-14)9(16)12-10(17)13-11/h2-7H2,1H3,(H2,12,13,16,17)
InChIKeyKQTKDTHZVCUCAR-UHFFFAOYSA-N
XLogP-0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 115949458
8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56798699
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 81171740
8-[3-(1-methyltriazol-4-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166398495
8-[3-(1,2,4-triazol-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60713024
7-(2-propoxyacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 113239192

Frequently Asked Questions

What is the IUPAC name of 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 42109419) is 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCC(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KQTKDTHZVCUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-8(15)14-6-4-11(5-7-14)9(16)12-10(17)13-11/h2-7H2,1H3,(H2,12,13,16,17).
What are the key properties of 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42109419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).