1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione

C7H12N2O4 — CID 15646792

IUPAC1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione
SMILESCC(O)N1CC(=O)N(C(C)O)C1=O
InChIInChI=1S/C7H12N2O4/c1-4(10)8-3-6(12)9(5(2)11)7(8)13/h4-5,10-11H,3H2,1-2H3
InChIKeyKCLRHYYTENRILL-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.07
Rot. Bonds2

About 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione

1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione (PubChem CID 15646792) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione
PubChem CID15646792
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione
SMILESCC(O)N1CC(=O)N(C(C)O)C1=O
InChIInChI=1S/C7H12N2O4/c1-4(10)8-3-6(12)9(5(2)11)7(8)13/h4-5,10-11H,3H2,1-2H3
InChIKeyKCLRHYYTENRILL-UHFFFAOYSA-N
XLogP-1.07
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione (CID 15646792) is 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione is CC(O)N1CC(=O)N(C(C)O)C1=O.
What is the InChIKey of 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione?
The InChIKey is KCLRHYYTENRILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)8-3-6(12)9(5(2)11)7(8)13/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione?
1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione has a molecular weight of 188.18 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-hydroxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15646792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).