4-(hydroperoxymethyl)-2-azaspiro[4.5]decane

C10H19NO2 — CID 20662768

IUPAC4-(hydroperoxymethyl)-2-azaspiro[4.5]decane
SMILESOOCC1CNCC12CCCCC2
InChIInChI=1S/C10H19NO2/c12-13-7-9-6-11-8-10(9)4-2-1-3-5-10/h9,11-12H,1-8H2
InChIKeyFPQIGGMMKMHOPD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.65
Rot. Bonds2

About 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane

4-(hydroperoxymethyl)-2-azaspiro[4.5]decane (PubChem CID 20662768) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(hydroperoxymethyl)-2-azaspiro[4.5]decane
PubChem CID20662768
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(hydroperoxymethyl)-2-azaspiro[4.5]decane
SMILESOOCC1CNCC12CCCCC2
InChIInChI=1S/C10H19NO2/c12-13-7-9-6-11-8-10(9)4-2-1-3-5-10/h9,11-12H,1-8H2
InChIKeyFPQIGGMMKMHOPD-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane?
The IUPAC name of 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane (CID 20662768) is 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane?
The canonical SMILES for 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane is OOCC1CNCC12CCCCC2.
What is the InChIKey of 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane?
The InChIKey is FPQIGGMMKMHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-13-7-9-6-11-8-10(9)4-2-1-3-5-10/h9,11-12H,1-8H2.
What are the key properties of 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane?
4-(hydroperoxymethyl)-2-azaspiro[4.5]decane has a molecular weight of 185.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroperoxymethyl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 20662768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).