2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde

C12H11NO2 — CID 84776217

IUPAC2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CC2CC2C1=O
InChIInChI=1S/C12H11NO2/c14-7-8-3-1-2-4-11(8)13-6-9-5-10(9)12(13)15/h1-4,7,9-10H,5-6H2
InChIKeyJWUASVRDIBQRGG-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds2

About 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde

2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde (PubChem CID 84776217) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde
PubChem CID84776217
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CC2CC2C1=O
InChIInChI=1S/C12H11NO2/c14-7-8-3-1-2-4-11(8)13-6-9-5-10(9)12(13)15/h1-4,7,9-10H,5-6H2
InChIKeyJWUASVRDIBQRGG-UHFFFAOYSA-N
XLogP1.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
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-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde?
The IUPAC name of 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde (CID 84776217) is 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde.
What is the SMILES notation for 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde?
The canonical SMILES for 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde is O=Cc1ccccc1N1CC2CC2C1=O.
What is the InChIKey of 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde?
The InChIKey is JWUASVRDIBQRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-7-8-3-1-2-4-11(8)13-6-9-5-10(9)12(13)15/h1-4,7,9-10H,5-6H2.
What are the key properties of 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde?
2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)benzaldehyde is sourced from PubChem (CID 84776217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).