4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde

C15H19NO — CID 84792945

IUPAC4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde
SMILESO=Cc1ccc(CCN2CC3CCC2C3)cc1
InChIInChI=1S/C15H19NO/c17-11-13-3-1-12(2-4-13)7-8-16-10-14-5-6-15(16)9-14/h1-4,11,14-15H,5-10H2
InChIKeyAJSMCNYZHIUSRR-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.53
Rot. Bonds4

About 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde

4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde (PubChem CID 84792945) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde
PubChem CID84792945
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde
SMILESO=Cc1ccc(CCN2CC3CCC2C3)cc1
InChIInChI=1S/C15H19NO/c17-11-13-3-1-12(2-4-13)7-8-16-10-14-5-6-15(16)9-14/h1-4,11,14-15H,5-10H2
InChIKeyAJSMCNYZHIUSRR-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.53
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 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde?
The IUPAC name of 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde (CID 84792945) is 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde.
What is the SMILES notation for 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde?
The canonical SMILES for 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde is O=Cc1ccc(CCN2CC3CCC2C3)cc1.
What is the InChIKey of 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde?
The InChIKey is AJSMCNYZHIUSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-11-13-3-1-12(2-4-13)7-8-16-10-14-5-6-15(16)9-14/h1-4,11,14-15H,5-10H2.
What are the key properties of 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde?
4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde has a molecular weight of 229.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]benzaldehyde is sourced from PubChem (CID 84792945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).