5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde

C11H13NO2 — CID 62121921

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(N2CC3CCC2C3)o1
InChIInChI=1S/C11H13NO2/c13-7-10-3-4-11(14-10)12-6-8-1-2-9(12)5-8/h3-4,7-9H,1-2,5-6H2
InChIKeyOIUJYAZWVARKJA-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.08
Rot. Bonds2

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde

5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde (PubChem CID 62121921) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde
PubChem CID62121921
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(N2CC3CCC2C3)o1
InChIInChI=1S/C11H13NO2/c13-7-10-3-4-11(14-10)12-6-8-1-2-9(12)5-8/h3-4,7-9H,1-2,5-6H2
InChIKeyOIUJYAZWVARKJA-UHFFFAOYSA-N
XLogP2.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde (CID 62121921) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde is O=Cc1ccc(N2CC3CCC2C3)o1.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde?
The InChIKey is OIUJYAZWVARKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-7-10-3-4-11(14-10)12-6-8-1-2-9(12)5-8/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde?
5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-yl)furan-2-carbaldehyde is sourced from PubChem (CID 62121921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).