3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione

C9H16N2O3 — CID 21395745

IUPAC3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-4-6(12)5-11-7(13)9(2,3)10-8(11)14/h6,12H,4-5H2,1-3H3,(H,10,14)
InChIKeyUVLBIWWNTIRYAN-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.09
Rot. Bonds3

About 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione

3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 21395745) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID21395745
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCCC(O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-4-6(12)5-11-7(13)9(2,3)10-8(11)14/h6,12H,4-5H2,1-3H3,(H,10,14)
InChIKeyUVLBIWWNTIRYAN-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.09
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-(2-Hydroxyethyl)-5,5-dimethylhydantoin
CID 99605
1,3-Bis(2-hydroxyethyl)-5,5-dimethyl-2,4-imidazolidinedione
CID 117879
3-[2-Hydroxy-3-(4-morpholinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 647728
3-(2-Hydroxy-3-piperidin-1-yl-propyl)-5,5-dimethyl-imidazolidine-2,4-dione
CID 650277
3-[3-(Diethylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2909095
3-[3-(Dimethylamino)-2-hydroxypropyl]-5,5-dimethyl-1,3-diazolidine-2,4-dione
CID 3133125
3,3'-(2-Hydroxypropane-1,3-diyl)bis(5,5-dimethylimidazolidine-2,4-dione)
CID 648961
3-[2-Hydroxy-3-(1-pyrrolidinyl)propyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2909886
Mercury, chloro((3-(5,5-dimethyl-2,4-dioxo-3-imidazolidinyl)-2-methoxy)propyl)-
CID 18993
3-[3-(2,5-Dioxo-pyrrolidin-1-yl)-2-hydroxy-propyl]-5,5-dimethyl-imidazolidine-2,4-dione
CID 652154
3-(3-Dibutylamino-2-hydroxy-propyl)-5,5-dimethyl-imidazolidine-2,4-dione
CID 2884173
3-[3-(Dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 3145439

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione (CID 21395745) is 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione is CCC(O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UVLBIWWNTIRYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-6(12)5-11-7(13)9(2,3)10-8(11)14/h6,12H,4-5H2,1-3H3,(H,10,14).
What are the key properties of 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybutyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 21395745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).