3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione

C8H14N2O3 — CID 103936477

IUPAC3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione
SMILESCCC(CCO)N1C(=O)CNC1=O
InChIInChI=1S/C8H14N2O3/c1-2-6(3-4-11)10-7(12)5-9-8(10)13/h6,11H,2-5H2,1H3,(H,9,13)
InChIKeyUWIINGARUCEXGT-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.30
Rot. Bonds4

About 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione

3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione (PubChem CID 103936477) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione
PubChem CID103936477
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione
SMILESCCC(CCO)N1C(=O)CNC1=O
InChIInChI=1S/C8H14N2O3/c1-2-6(3-4-11)10-7(12)5-9-8(10)13/h6,11H,2-5H2,1H3,(H,9,13)
InChIKeyUWIINGARUCEXGT-UHFFFAOYSA-N
XLogP-0.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.30
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

3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
CID 107861614
3-(1-hydroxybutan-2-yl)-2-sulfanylideneimidazolidin-4-one
CID 130637208
3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione
CID 130908924
3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
CID 130949581
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
2-(1-hydroxypentan-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 113496250
3-hexadecan-2-ylimidazolidine-2,4-dione
CID 70547028
2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22390018
(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108752
1-hexan-3-ylpiperazine-2,5-dione
CID 64955992
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725511
5-methylidene-1-pentan-3-ylpyrrolidin-2-one
CID 89100562

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione (CID 103936477) is 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione is CCC(CCO)N1C(=O)CNC1=O.
What is the InChIKey of 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione?
The InChIKey is UWIINGARUCEXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-6(3-4-11)10-7(12)5-9-8(10)13/h6,11H,2-5H2,1H3,(H,9,13).
What are the key properties of 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione?
3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione has a molecular weight of 186.21 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 103936477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).