3-tert-butyl-5-hydroxyimidazolidine-2,4-dione

C7H12N2O3 — CID 165360436

IUPAC3-tert-butyl-5-hydroxyimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)NC(O)C1=O
InChIInChI=1S/C7H12N2O3/c1-7(2,3)9-5(11)4(10)8-6(9)12/h4,10H,1-3H3,(H,8,12)
InChIKeyNKEQZKWCQYWDFE-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.34
Rot. Bonds

About 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione

3-tert-butyl-5-hydroxyimidazolidine-2,4-dione (PubChem CID 165360436) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-5-hydroxyimidazolidine-2,4-dione
PubChem CID165360436
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-tert-butyl-5-hydroxyimidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)NC(O)C1=O
InChIInChI=1S/C7H12N2O3/c1-7(2,3)9-5(11)4(10)8-6(9)12/h4,10H,1-3H3,(H,8,12)
InChIKeyNKEQZKWCQYWDFE-UHFFFAOYSA-N
XLogP-0.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.34
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-tert-butyl-5-hydroxyimidazolidine-2,4-dione?
The IUPAC name of 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione (CID 165360436) is 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione is CC(C)(C)N1C(=O)NC(O)C1=O.
What is the InChIKey of 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione?
The InChIKey is NKEQZKWCQYWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-7(2,3)9-5(11)4(10)8-6(9)12/h4,10H,1-3H3,(H,8,12).
What are the key properties of 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione?
3-tert-butyl-5-hydroxyimidazolidine-2,4-dione has a molecular weight of 172.18 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-hydroxyimidazolidine-2,4-dione is sourced from PubChem (CID 165360436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).