1-azaspiro[5.5]undecane-1-carbaldehyde

C11H19NO — CID 22160710

IUPAC1-azaspiro[5.5]undecane-1-carbaldehyde
SMILESO=CN1CCCCC12CCCCC2
InChIInChI=1S/C11H19NO/c13-10-12-9-5-4-8-11(12)6-2-1-3-7-11/h10H,1-9H2
InChIKeyAPVVVHPBDQQGJS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.33
Rot. Bonds1

About 1-azaspiro[5.5]undecane-1-carbaldehyde

1-azaspiro[5.5]undecane-1-carbaldehyde (PubChem CID 22160710) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-azaspiro[5.5]undecane-1-carbaldehyde.

Molecular Properties

Compound Name1-azaspiro[5.5]undecane-1-carbaldehyde
PubChem CID22160710
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-azaspiro[5.5]undecane-1-carbaldehyde
SMILESO=CN1CCCCC12CCCCC2
InChIInChI=1S/C11H19NO/c13-10-12-9-5-4-8-11(12)6-2-1-3-7-11/h10H,1-9H2
InChIKeyAPVVVHPBDQQGJS-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[5.5]undecane-1-carbaldehyde?
The IUPAC name of 1-azaspiro[5.5]undecane-1-carbaldehyde (CID 22160710) is 1-azaspiro[5.5]undecane-1-carbaldehyde.
What is the SMILES notation for 1-azaspiro[5.5]undecane-1-carbaldehyde?
The canonical SMILES for 1-azaspiro[5.5]undecane-1-carbaldehyde is O=CN1CCCCC12CCCCC2.
What is the InChIKey of 1-azaspiro[5.5]undecane-1-carbaldehyde?
The InChIKey is APVVVHPBDQQGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-10-12-9-5-4-8-11(12)6-2-1-3-7-11/h10H,1-9H2.
What are the key properties of 1-azaspiro[5.5]undecane-1-carbaldehyde?
1-azaspiro[5.5]undecane-1-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[5.5]undecane-1-carbaldehyde is sourced from PubChem (CID 22160710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).