4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde

C5H8N2O4 — CID 3685686

IUPAC4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde
SMILESO=CN1CN(C=O)C(O)C1O
InChIInChI=1S/C5H8N2O4/c8-2-6-1-7(3-9)5(11)4(6)10/h2-5,10-11H,1H2
InChIKeyQEXYKFIUOZNZLW-UHFFFAOYSA-N
MW160.13 g/mol
LogP-2.49
Rot. Bonds2

About 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde

4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde (PubChem CID 3685686) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde
PubChem CID3685686
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde
SMILESO=CN1CN(C=O)C(O)C1O
InChIInChI=1S/C5H8N2O4/c8-2-6-1-7(3-9)5(11)4(6)10/h2-5,10-11H,1H2
InChIKeyQEXYKFIUOZNZLW-UHFFFAOYSA-N
XLogP-2.49
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde?
The IUPAC name of 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde (CID 3685686) is 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde.
What is the SMILES notation for 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde?
The canonical SMILES for 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde is O=CN1CN(C=O)C(O)C1O.
What is the InChIKey of 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde?
The InChIKey is QEXYKFIUOZNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c8-2-6-1-7(3-9)5(11)4(6)10/h2-5,10-11H,1H2.
What are the key properties of 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde?
4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde has a molecular weight of 160.13 g/mol, XLogP of -2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxyimidazolidine-1,3-dicarbaldehyde is sourced from PubChem (CID 3685686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).