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

C11H18N2O4 — CID 54162897

IUPAC3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCCO)C(=O)N1CC1CO1
InChIInChI=1S/C11H18N2O4/c1-11(2)9(15)12(4-3-5-14)10(16)13(11)6-8-7-17-8/h8,14H,3-7H2,1-2H3
InChIKeyOPQXDVVFUVFEID-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.19
Rot. Bonds5

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

3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 54162897) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID54162897
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCCO)C(=O)N1CC1CO1
InChIInChI=1S/C11H18N2O4/c1-11(2)9(15)12(4-3-5-14)10(16)13(11)6-8-7-17-8/h8,14H,3-7H2,1-2H3
InChIKeyOPQXDVVFUVFEID-UHFFFAOYSA-N
XLogP-0.19
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione (CID 54162897) is 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is CC1(C)C(=O)N(CCCO)C(=O)N1CC1CO1.
What is the InChIKey of 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is OPQXDVVFUVFEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2)9(15)12(4-3-5-14)10(16)13(11)6-8-7-17-8/h8,14H,3-7H2,1-2H3.
What are the key properties of 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione?
3-(3-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, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 54162897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).