cyclopropene-1-carboperoxoic acid

C4H4O3 — CID 156697961

IUPACcyclopropene-1-carboperoxoic acid
SMILESO=C(OO)C1=CC1
InChIInChI=1S/C4H4O3/c5-4(7-6)3-1-2-3/h1,6H,2H2
InChIKeyGNCKNGTWORZRGC-UHFFFAOYSA-N
MW100.07 g/mol
LogP0.33
Rot. Bonds1

About cyclopropene-1-carboperoxoic acid

cyclopropene-1-carboperoxoic acid (PubChem CID 156697961) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is cyclopropene-1-carboperoxoic acid.

Molecular Properties

Compound Namecyclopropene-1-carboperoxoic acid
PubChem CID156697961
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Namecyclopropene-1-carboperoxoic acid
SMILESO=C(OO)C1=CC1
InChIInChI=1S/C4H4O3/c5-4(7-6)3-1-2-3/h1,6H,2H2
InChIKeyGNCKNGTWORZRGC-UHFFFAOYSA-N
XLogP0.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 cyclopropene-1-carboperoxoic acid?
The IUPAC name of cyclopropene-1-carboperoxoic acid (CID 156697961) is cyclopropene-1-carboperoxoic acid.
What is the SMILES notation for cyclopropene-1-carboperoxoic acid?
The canonical SMILES for cyclopropene-1-carboperoxoic acid is O=C(OO)C1=CC1.
What is the InChIKey of cyclopropene-1-carboperoxoic acid?
The InChIKey is GNCKNGTWORZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3/c5-4(7-6)3-1-2-3/h1,6H,2H2.
What are the key properties of cyclopropene-1-carboperoxoic acid?
cyclopropene-1-carboperoxoic acid has a molecular weight of 100.07 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropene-1-carboperoxoic acid is sourced from PubChem (CID 156697961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).