2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde

C8H13NO — CID 130986180

IUPAC2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
SMILESO=CCN1CCC2(CC2)C1
InChIInChI=1S/C8H13NO/c10-6-5-9-4-3-8(7-9)1-2-8/h6H,1-5,7H2
InChIKeyCTUWZCCJHAZGBW-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.67
Rot. Bonds2

About 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde

2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde (PubChem CID 130986180) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
PubChem CID130986180
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
SMILESO=CCN1CCC2(CC2)C1
InChIInChI=1S/C8H13NO/c10-6-5-9-4-3-8(7-9)1-2-8/h6H,1-5,7H2
InChIKeyCTUWZCCJHAZGBW-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde 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 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
The IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde (CID 130986180) is 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde.
What is the SMILES notation for 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
The canonical SMILES for 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde is O=CCN1CCC2(CC2)C1.
What is the InChIKey of 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
The InChIKey is CTUWZCCJHAZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-6-5-9-4-3-8(7-9)1-2-8/h6H,1-5,7H2.
What are the key properties of 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde?
2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde has a molecular weight of 139.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde is sourced from PubChem (CID 130986180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).