2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde

C9H15NO — CID 90021764

IUPAC2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde
SMILESO=CCN1CCC2(CC1)CC2
InChIInChI=1S/C9H15NO/c11-8-7-10-5-3-9(1-2-9)4-6-10/h8H,1-7H2
InChIKeyZFKCHBGDVYNVTI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds2

About 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde

2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde (PubChem CID 90021764) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde
PubChem CID90021764
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde
SMILESO=CCN1CCC2(CC1)CC2
InChIInChI=1S/C9H15NO/c11-8-7-10-5-3-9(1-2-9)4-6-10/h8H,1-7H2
InChIKeyZFKCHBGDVYNVTI-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde (CID 90021764) is 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde is O=CCN1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde?
The InChIKey is ZFKCHBGDVYNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-8-7-10-5-3-9(1-2-9)4-6-10/h8H,1-7H2.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde?
2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)acetaldehyde is sourced from PubChem (CID 90021764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).