2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde

C16H22N2O — CID 114055531

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H22N2O/c19-13-14-5-4-10-17-15(14)18-11-8-16(9-12-18)6-2-1-3-7-16/h4-5,10,13H,1-3,6-9,11-12H2
InChIKeyWDKXXIMIVCRGOX-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.44
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde

2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde (PubChem CID 114055531) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde
PubChem CID114055531
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H22N2O/c19-13-14-5-4-10-17-15(14)18-11-8-16(9-12-18)6-2-1-3-7-16/h4-5,10,13H,1-3,6-9,11-12H2
InChIKeyWDKXXIMIVCRGOX-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde (CID 114055531) is 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde is O=Cc1cccnc1N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde?
The InChIKey is WDKXXIMIVCRGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-13-14-5-4-10-17-15(14)18-11-8-16(9-12-18)6-2-1-3-7-16/h4-5,10,13H,1-3,6-9,11-12H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde?
2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde has a molecular weight of 258.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 114055531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).