1-azaspiro[5.5]undecane-3-carbaldehyde

C11H19NO — CID 123930535

IUPAC1-azaspiro[5.5]undecane-3-carbaldehyde
SMILESO=CC1CCC2(CCCCC2)NC1
InChIInChI=1S/C11H19NO/c13-9-10-4-7-11(12-8-10)5-2-1-3-6-11/h9-10,12H,1-8H2
InChIKeyLWTHUXAOWFBGJT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds1

About 1-azaspiro[5.5]undecane-3-carbaldehyde

1-azaspiro[5.5]undecane-3-carbaldehyde (PubChem CID 123930535) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-azaspiro[5.5]undecane-3-carbaldehyde.

Molecular Properties

Compound Name1-azaspiro[5.5]undecane-3-carbaldehyde
PubChem CID123930535
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-azaspiro[5.5]undecane-3-carbaldehyde
SMILESO=CC1CCC2(CCCCC2)NC1
InChIInChI=1S/C11H19NO/c13-9-10-4-7-11(12-8-10)5-2-1-3-6-11/h9-10,12H,1-8H2
InChIKeyLWTHUXAOWFBGJT-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
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 1-azaspiro[5.5]undecane-3-carbaldehyde?
The IUPAC name of 1-azaspiro[5.5]undecane-3-carbaldehyde (CID 123930535) is 1-azaspiro[5.5]undecane-3-carbaldehyde.
What is the SMILES notation for 1-azaspiro[5.5]undecane-3-carbaldehyde?
The canonical SMILES for 1-azaspiro[5.5]undecane-3-carbaldehyde is O=CC1CCC2(CCCCC2)NC1.
What is the InChIKey of 1-azaspiro[5.5]undecane-3-carbaldehyde?
The InChIKey is LWTHUXAOWFBGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-9-10-4-7-11(12-8-10)5-2-1-3-6-11/h9-10,12H,1-8H2.
What are the key properties of 1-azaspiro[5.5]undecane-3-carbaldehyde?
1-azaspiro[5.5]undecane-3-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[5.5]undecane-3-carbaldehyde is sourced from PubChem (CID 123930535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).