3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione

C9H16N2O3 — CID 103936481

IUPAC3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
SMILESCC(C)(CCO)CN1C(=O)CNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3-4-12)6-11-7(13)5-10-8(11)14/h12H,3-6H2,1-2H3,(H,10,14)
InChIKeyQGJKUUVQUKXHNC-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.05
Rot. Bonds4

About 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione

3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione (PubChem CID 103936481) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
PubChem CID103936481
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
SMILESCC(C)(CCO)CN1C(=O)CNC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3-4-12)6-11-7(13)5-10-8(11)14/h12H,3-6H2,1-2H3,(H,10,14)
InChIKeyQGJKUUVQUKXHNC-UHFFFAOYSA-N
XLogP-0.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione (CID 103936481) is 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione is CC(C)(CCO)CN1C(=O)CNC1=O.
What is the InChIKey of 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione?
The InChIKey is QGJKUUVQUKXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3-4-12)6-11-7(13)5-10-8(11)14/h12H,3-6H2,1-2H3,(H,10,14).
What are the key properties of 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione?
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione has a molecular weight of 200.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 103936481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).