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

C6H8N2O3 — CID 70139707

IUPAC1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC=CO)C(=O)N1
InChIInChI=1S/C6H8N2O3/c9-3-1-2-8-4-5(10)7-6(8)11/h1,3,9H,2,4H2,(H,7,10,11)
InChIKeyAIMXUIVMCKKMRA-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.39
Rot. Bonds2

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

1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 70139707) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione
PubChem CID70139707
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione
SMILESO=C1CN(CC=CO)C(=O)N1
InChIInChI=1S/C6H8N2O3/c9-3-1-2-8-4-5(10)7-6(8)11/h1,3,9H,2,4H2,(H,7,10,11)
InChIKeyAIMXUIVMCKKMRA-UHFFFAOYSA-N
XLogP-0.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione (CID 70139707) is 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione is O=C1CN(CC=CO)C(=O)N1.
What is the InChIKey of 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is AIMXUIVMCKKMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-3-1-2-8-4-5(10)7-6(8)11/h1,3,9H,2,4H2,(H,7,10,11).
What are the key properties of 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione?
1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70139707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).