3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione

C9H14N2O3 — CID 19688405

IUPAC3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione
SMILESCCC(=O)N1C(=O)N(C)C(=O)C1(C)C
InChIInChI=1S/C9H14N2O3/c1-5-6(12)11-8(14)10(4)7(13)9(11,2)3/h5H2,1-4H3
InChIKeyBZOHEUBWZLPBHY-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.60
Rot. Bonds1

About 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione

3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione (PubChem CID 19688405) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione
PubChem CID19688405
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione
SMILESCCC(=O)N1C(=O)N(C)C(=O)C1(C)C
InChIInChI=1S/C9H14N2O3/c1-5-6(12)11-8(14)10(4)7(13)9(11,2)3/h5H2,1-4H3
InChIKeyBZOHEUBWZLPBHY-UHFFFAOYSA-N
XLogP0.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
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 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione?
The IUPAC name of 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione (CID 19688405) is 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione.
What is the SMILES notation for 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione?
The canonical SMILES for 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione is CCC(=O)N1C(=O)N(C)C(=O)C1(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione?
The InChIKey is BZOHEUBWZLPBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5-6(12)11-8(14)10(4)7(13)9(11,2)3/h5H2,1-4H3.
What are the key properties of 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione?
3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-propanoylimidazolidine-2,4-dione is sourced from PubChem (CID 19688405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).