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

C10H15N3O3 — CID 82098573

IUPAC8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)CN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C10H15N3O3/c1-7(14)6-13-4-2-10(3-5-13)8(15)11-9(16)12-10/h2-6H2,1H3,(H2,11,12,15,16)
InChIKeySIUXQJPYYRGDDR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.75
Rot. Bonds2

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

8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82098573) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82098573
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)CN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C10H15N3O3/c1-7(14)6-13-4-2-10(3-5-13)8(15)11-9(16)12-10/h2-6H2,1H3,(H2,11,12,15,16)
InChIKeySIUXQJPYYRGDDR-UHFFFAOYSA-N
XLogP-0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-N,N-diethylacetamide
CID 82098540
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
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-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
8-(4-methylpiperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 63122069
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 115949458

Frequently Asked Questions

What is the IUPAC name of 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82098573) is 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(=O)CN1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SIUXQJPYYRGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(14)6-13-4-2-10(3-5-13)8(15)11-9(16)12-10/h2-6H2,1H3,(H2,11,12,15,16).
What are the key properties of 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 225.25 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82098573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).