3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione

C9H16N2O3 — CID 130949581

IUPAC3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
SMILESCCC(N1C(=O)CNC1=O)C(C)(C)O
InChIInChI=1S/C9H16N2O3/c1-4-6(9(2,3)14)11-7(12)5-10-8(11)13/h6,14H,4-5H2,1-3H3,(H,10,13)
InChIKeyPMKLMAYKQVCOEY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.09
Rot. Bonds3

About 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione

3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione (PubChem CID 130949581) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
PubChem CID130949581
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
SMILESCCC(N1C(=O)CNC1=O)C(C)(C)O
InChIInChI=1S/C9H16N2O3/c1-4-6(9(2,3)14)11-7(12)5-10-8(11)13/h6,14H,4-5H2,1-3H3,(H,10,13)
InChIKeyPMKLMAYKQVCOEY-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione (CID 130949581) is 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione is CCC(N1C(=O)CNC1=O)C(C)(C)O.
What is the InChIKey of 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione?
The InChIKey is PMKLMAYKQVCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-6(9(2,3)14)11-7(12)5-10-8(11)13/h6,14H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione?
3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-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-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 130949581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).