3-(5-azaspiro[2.4]heptan-5-yl)propanal

C9H15NO — CID 131223665

IUPAC3-(5-azaspiro[2.4]heptan-5-yl)propanal
SMILESO=CCCN1CCC2(CC2)C1
InChIInChI=1S/C9H15NO/c11-7-1-5-10-6-4-9(8-10)2-3-9/h7H,1-6,8H2
InChIKeyCBIZCMHXLJYEQY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds3

About 3-(5-azaspiro[2.4]heptan-5-yl)propanal

3-(5-azaspiro[2.4]heptan-5-yl)propanal (PubChem CID 131223665) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(5-azaspiro[2.4]heptan-5-yl)propanal.

Molecular Properties

Compound Name3-(5-azaspiro[2.4]heptan-5-yl)propanal
PubChem CID131223665
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(5-azaspiro[2.4]heptan-5-yl)propanal
SMILESO=CCCN1CCC2(CC2)C1
InChIInChI=1S/C9H15NO/c11-7-1-5-10-6-4-9(8-10)2-3-9/h7H,1-6,8H2
InChIKeyCBIZCMHXLJYEQY-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[2.4]heptan-5-yl)propanal?
The IUPAC name of 3-(5-azaspiro[2.4]heptan-5-yl)propanal (CID 131223665) is 3-(5-azaspiro[2.4]heptan-5-yl)propanal.
What is the SMILES notation for 3-(5-azaspiro[2.4]heptan-5-yl)propanal?
The canonical SMILES for 3-(5-azaspiro[2.4]heptan-5-yl)propanal is O=CCCN1CCC2(CC2)C1.
What is the InChIKey of 3-(5-azaspiro[2.4]heptan-5-yl)propanal?
The InChIKey is CBIZCMHXLJYEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-7-1-5-10-6-4-9(8-10)2-3-9/h7H,1-6,8H2.
What are the key properties of 3-(5-azaspiro[2.4]heptan-5-yl)propanal?
3-(5-azaspiro[2.4]heptan-5-yl)propanal has a molecular weight of 153.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[2.4]heptan-5-yl)propanal is sourced from PubChem (CID 131223665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).