1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione

C9H12N2O4 — CID 70580657

IUPAC1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC=CO)C(=O)N1CC=CO
InChIInChI=1S/C9H12N2O4/c12-5-1-3-10-7-8(14)11(9(10)15)4-2-6-13/h1-2,5-6,12-13H,3-4,7H2
InChIKeyXPGCLFKQPGXPOE-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.39
Rot. Bonds4

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

1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 70580657) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione
PubChem CID70580657
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC=CO)C(=O)N1CC=CO
InChIInChI=1S/C9H12N2O4/c12-5-1-3-10-7-8(14)11(9(10)15)4-2-6-13/h1-2,5-6,12-13H,3-4,7H2
InChIKeyXPGCLFKQPGXPOE-UHFFFAOYSA-N
XLogP0.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione (CID 70580657) is 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione is O=C1CN(CC=CO)C(=O)N1CC=CO.
What is the InChIKey of 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is XPGCLFKQPGXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-5-1-3-10-7-8(14)11(9(10)15)4-2-6-13/h1-2,5-6,12-13H,3-4,7H2.
What are the key properties of 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 212.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70580657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).