3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

C11H18N2O4 — CID 20565320

IUPAC3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(O)CN1C(=O)N(CC2CO2)C(C)(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-7(14)4-12-9(15)11(2,3)13(10(12)16)5-8-6-17-8/h7-8,14H,4-6H2,1-3H3
InChIKeyQEBCGZIFQJZXAC-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.19
Rot. Bonds4

About 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione

3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 20565320) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID20565320
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(O)CN1C(=O)N(CC2CO2)C(C)(C)C1=O
InChIInChI=1S/C11H18N2O4/c1-7(14)4-12-9(15)11(2,3)13(10(12)16)5-8-6-17-8/h7-8,14H,4-6H2,1-3H3
InChIKeyQEBCGZIFQJZXAC-UHFFFAOYSA-N
XLogP-0.19
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (CID 20565320) is 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is CC(O)CN1C(=O)N(CC2CO2)C(C)(C)C1=O.
What is the InChIKey of 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is QEBCGZIFQJZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(14)4-12-9(15)11(2,3)13(10(12)16)5-8-6-17-8/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 242.27 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 20565320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).