5-hexyl-5-hydroxyimidazolidine-2,4-dione

C9H16N2O3 — CID 70494032

IUPAC5-hexyl-5-hydroxyimidazolidine-2,4-dione
SMILESCCCCCCC1(O)NC(=O)NC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-5-6-9(14)7(12)10-8(13)11-9/h14H,2-6H2,1H3,(H2,10,11,12,13)
InChIKeyBKXQCUYPIWLTEM-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.48
Rot. Bonds5

About 5-hexyl-5-hydroxyimidazolidine-2,4-dione

5-hexyl-5-hydroxyimidazolidine-2,4-dione (PubChem CID 70494032) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-hexyl-5-hydroxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hexyl-5-hydroxyimidazolidine-2,4-dione
PubChem CID70494032
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name5-hexyl-5-hydroxyimidazolidine-2,4-dione
SMILESCCCCCCC1(O)NC(=O)NC1=O
InChIInChI=1S/C9H16N2O3/c1-2-3-4-5-6-9(14)7(12)10-8(13)11-9/h14H,2-6H2,1H3,(H2,10,11,12,13)
InChIKeyBKXQCUYPIWLTEM-UHFFFAOYSA-N
XLogP0.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
5-ethyl-5-hydroxyimidazolidine-2,4-dione
CID 15593848
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
3-hydroxy-3-tetradecylpyrrolidine-2,5-dione
CID 139791197
heptane;pyrrole-2,5-dione
CID 159979894
ethyl 3-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 142170729
5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 58437036
5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-5-heptadecylimidazolidine-2,4-dione
CID 21416278
9,9-didodecyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 122386122
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
5-benzyl-5-butylimidazolidine-2,4-dione
CID 174713775
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-5-hydroxyimidazolidine-2,4-dione?
The IUPAC name of 5-hexyl-5-hydroxyimidazolidine-2,4-dione (CID 70494032) is 5-hexyl-5-hydroxyimidazolidine-2,4-dione.
What is the SMILES notation for 5-hexyl-5-hydroxyimidazolidine-2,4-dione?
The canonical SMILES for 5-hexyl-5-hydroxyimidazolidine-2,4-dione is CCCCCCC1(O)NC(=O)NC1=O.
What is the InChIKey of 5-hexyl-5-hydroxyimidazolidine-2,4-dione?
The InChIKey is BKXQCUYPIWLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-3-4-5-6-9(14)7(12)10-8(13)11-9/h14H,2-6H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-hexyl-5-hydroxyimidazolidine-2,4-dione?
5-hexyl-5-hydroxyimidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-5-hydroxyimidazolidine-2,4-dione is sourced from PubChem (CID 70494032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).