5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione

C8H12N2O3 — CID 175318269

IUPAC5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCC2CO2)N1
InChIInChI=1S/C8H12N2O3/c11-7-6(9-8(12)10-7)3-1-2-5-4-13-5/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyZKWTWXIMBTWSDC-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.24
Rot. Bonds4

About 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione

5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione (PubChem CID 175318269) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione
PubChem CID175318269
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCC2CO2)N1
InChIInChI=1S/C8H12N2O3/c11-7-6(9-8(12)10-7)3-1-2-5-4-13-5/h5-6H,1-4H2,(H2,9,10,11,12)
InChIKeyZKWTWXIMBTWSDC-UHFFFAOYSA-N
XLogP-0.24
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione (CID 175318269) is 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCCC2CO2)N1.
What is the InChIKey of 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is ZKWTWXIMBTWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-7-6(9-8(12)10-7)3-1-2-5-4-13-5/h5-6H,1-4H2,(H2,9,10,11,12).
What are the key properties of 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione?
5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxiran-2-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 175318269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).