2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde

C13H15NO — CID 117045336

IUPAC2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CCCC2CC21
InChIInChI=1S/C13H15NO/c15-9-11-4-1-2-6-12(11)14-7-3-5-10-8-13(10)14/h1-2,4,6,9-10,13H,3,5,7-8H2
InChIKeyJXEFSJYEYNTGFD-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.49
Rot. Bonds2

About 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde

2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde (PubChem CID 117045336) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde
PubChem CID117045336
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CCCC2CC21
InChIInChI=1S/C13H15NO/c15-9-11-4-1-2-6-12(11)14-7-3-5-10-8-13(10)14/h1-2,4,6,9-10,13H,3,5,7-8H2
InChIKeyJXEFSJYEYNTGFD-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.49
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 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde?
The IUPAC name of 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde (CID 117045336) is 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde.
What is the SMILES notation for 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde?
The canonical SMILES for 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde is O=Cc1ccccc1N1CCCC2CC21.
What is the InChIKey of 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde?
The InChIKey is JXEFSJYEYNTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-9-11-4-1-2-6-12(11)14-7-3-5-10-8-13(10)14/h1-2,4,6,9-10,13H,3,5,7-8H2.
What are the key properties of 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde?
2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde is sourced from PubChem (CID 117045336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).