1-hydroperoxy-4,5-dihydroimidazole

C3H6N2O2 — CID 91008059

IUPAC1-hydroperoxy-4,5-dihydroimidazole
SMILESOON1C=NCC1
InChIInChI=1S/C3H6N2O2/c6-7-5-2-1-4-3-5/h3,6H,1-2H2
InChIKeySOYFVDSGPHEBPJ-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.27
Rot. Bonds1

About 1-hydroperoxy-4,5-dihydroimidazole

1-hydroperoxy-4,5-dihydroimidazole (PubChem CID 91008059) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 1-hydroperoxy-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-hydroperoxy-4,5-dihydroimidazole
PubChem CID91008059
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name1-hydroperoxy-4,5-dihydroimidazole
SMILESOON1C=NCC1
InChIInChI=1S/C3H6N2O2/c6-7-5-2-1-4-3-5/h3,6H,1-2H2
InChIKeySOYFVDSGPHEBPJ-UHFFFAOYSA-N
XLogP-0.27
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-4,5-dihydroimidazole?
The IUPAC name of 1-hydroperoxy-4,5-dihydroimidazole (CID 91008059) is 1-hydroperoxy-4,5-dihydroimidazole.
What is the SMILES notation for 1-hydroperoxy-4,5-dihydroimidazole?
The canonical SMILES for 1-hydroperoxy-4,5-dihydroimidazole is OON1C=NCC1.
What is the InChIKey of 1-hydroperoxy-4,5-dihydroimidazole?
The InChIKey is SOYFVDSGPHEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c6-7-5-2-1-4-3-5/h3,6H,1-2H2.
What are the key properties of 1-hydroperoxy-4,5-dihydroimidazole?
1-hydroperoxy-4,5-dihydroimidazole has a molecular weight of 102.09 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-4,5-dihydroimidazole is sourced from PubChem (CID 91008059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).