8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one

C11H18N4O2 — CID 136932075

IUPAC8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC/N=C1\NC(=O)C2(CCN(C(C)=O)CC2)N1
InChIInChI=1S/C11H18N4O2/c1-3-12-10-13-9(17)11(14-10)4-6-15(7-5-11)8(2)16/h3-7H2,1-2H3,(H2,12,13,14,17)
InChIKeyMHAXVAORJIJGLP-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.54
Rot. Bonds1

About 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one

8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 136932075) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID136932075
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC/N=C1\NC(=O)C2(CCN(C(C)=O)CC2)N1
InChIInChI=1S/C11H18N4O2/c1-3-12-10-13-9(17)11(14-10)4-6-15(7-5-11)8(2)16/h3-7H2,1-2H3,(H2,12,13,14,17)
InChIKeyMHAXVAORJIJGLP-UHFFFAOYSA-N
XLogP-0.54
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098573
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide
CID 82098540
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102655908
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 115949458
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one (CID 136932075) is 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one is CC/N=C1\NC(=O)C2(CCN(C(C)=O)CC2)N1.
What is the InChIKey of 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is MHAXVAORJIJGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-12-10-13-9(17)11(14-10)4-6-15(7-5-11)8(2)16/h3-7H2,1-2H3,(H2,12,13,14,17).
What are the key properties of 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one?
8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 238.29 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-ethylimino-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 136932075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).