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

C9H14N2O3 — CID 3017964

IUPAC3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESC=COCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-4-14-6-5-11-7(12)9(2,3)10-8(11)13/h4H,1,5-6H2,2-3H3,(H,10,13)
InChIKeyZUWLNOXNQWRSHI-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.48
Rot. Bonds4

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

3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 3017964) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID3017964
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESC=COCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-4-14-6-5-11-7(12)9(2,3)10-8(11)13/h4H,1,5-6H2,2-3H3,(H,10,13)
InChIKeyZUWLNOXNQWRSHI-UHFFFAOYSA-N
XLogP0.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 3017964) is 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione is C=COCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZUWLNOXNQWRSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-14-6-5-11-7(12)9(2,3)10-8(11)13/h4H,1,5-6H2,2-3H3,(H,10,13).
What are the key properties of 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 3017964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).