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

C6H8N2O4 — CID 69180525

IUPAC1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione
SMILESO=C1CN(C(O)C=CO)C(=O)N1
InChIInChI=1S/C6H8N2O4/c9-2-1-5(11)8-3-4(10)7-6(8)12/h1-2,5,9,11H,3H2,(H,7,10,12)
InChIKeyZIHSSEUTHLQBSI-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.07
Rot. Bonds2

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

1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 69180525) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione
PubChem CID69180525
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione
SMILESO=C1CN(C(O)C=CO)C(=O)N1
InChIInChI=1S/C6H8N2O4/c9-2-1-5(11)8-3-4(10)7-6(8)12/h1-2,5,9,11H,3H2,(H,7,10,12)
InChIKeyZIHSSEUTHLQBSI-UHFFFAOYSA-N
XLogP-1.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
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-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione (CID 69180525) is 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione is O=C1CN(C(O)C=CO)C(=O)N1.
What is the InChIKey of 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is ZIHSSEUTHLQBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-2-1-5(11)8-3-4(10)7-6(8)12/h1-2,5,9,11H,3H2,(H,7,10,12).
What are the key properties of 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione?
1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 172.14 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxyprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 69180525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).