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

C11H19N3O3 — CID 62849673

IUPAC3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCNCC2)C(=O)N1CCCCO
InChIInChI=1S/C11H19N3O3/c15-8-2-1-7-14-9(16)11(13-10(14)17)3-5-12-6-4-11/h12,15H,1-8H2,(H,13,17)
InChIKeyGWSPODDNYPMKSB-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.57
Rot. Bonds4

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

3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 62849673) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID62849673
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCNCC2)C(=O)N1CCCCO
InChIInChI=1S/C11H19N3O3/c15-8-2-1-7-14-9(16)11(13-10(14)17)3-5-12-6-4-11/h12,15H,1-8H2,(H,13,17)
InChIKeyGWSPODDNYPMKSB-UHFFFAOYSA-N
XLogP-0.57
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931375
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 111469932
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 82149052
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
2-[3-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-methylacetamide
CID 82148824

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 62849673) is 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCNCC2)C(=O)N1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GWSPODDNYPMKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-8-2-1-7-14-9(16)11(13-10(14)17)3-5-12-6-4-11/h12,15H,1-8H2,(H,13,17).
What are the key properties of 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62849673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).