3-hydroperoxybicyclo[2.2.1]heptan-2-one

C7H10O3 — CID 89034615

IUPAC3-hydroperoxybicyclo[2.2.1]heptan-2-one
SMILESO=C1C2CCC(C2)C1OO
InChIInChI=1S/C7H10O3/c8-6-4-1-2-5(3-4)7(6)10-9/h4-5,7,9H,1-3H2
InChIKeyFEDDUXDXLXKWDP-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.84
Rot. Bonds1

About 3-hydroperoxybicyclo[2.2.1]heptan-2-one

3-hydroperoxybicyclo[2.2.1]heptan-2-one (PubChem CID 89034615) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-hydroperoxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name3-hydroperoxybicyclo[2.2.1]heptan-2-one
PubChem CID89034615
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-hydroperoxybicyclo[2.2.1]heptan-2-one
SMILESO=C1C2CCC(C2)C1OO
InChIInChI=1S/C7H10O3/c8-6-4-1-2-5(3-4)7(6)10-9/h4-5,7,9H,1-3H2
InChIKeyFEDDUXDXLXKWDP-UHFFFAOYSA-N
XLogP0.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.84
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 3-hydroperoxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of 3-hydroperoxybicyclo[2.2.1]heptan-2-one (CID 89034615) is 3-hydroperoxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 3-hydroperoxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 3-hydroperoxybicyclo[2.2.1]heptan-2-one is O=C1C2CCC(C2)C1OO.
What is the InChIKey of 3-hydroperoxybicyclo[2.2.1]heptan-2-one?
The InChIKey is FEDDUXDXLXKWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-4-1-2-5(3-4)7(6)10-9/h4-5,7,9H,1-3H2.
What are the key properties of 3-hydroperoxybicyclo[2.2.1]heptan-2-one?
3-hydroperoxybicyclo[2.2.1]heptan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 89034615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).