2-(3-hydroxyazetidin-1-yl)benzaldehyde

C10H11NO2 — CID 130858337

IUPAC2-(3-hydroxyazetidin-1-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CC(O)C1
InChIInChI=1S/C10H11NO2/c12-7-8-3-1-2-4-10(8)11-5-9(13)6-11/h1-4,7,9,13H,5-6H2
InChIKeyBLPXEYNJWOATKK-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-hydroxyazetidin-1-yl)benzaldehyde

2-(3-hydroxyazetidin-1-yl)benzaldehyde (PubChem CID 130858337) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)benzaldehyde
PubChem CID130858337
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(3-hydroxyazetidin-1-yl)benzaldehyde
SMILESO=Cc1ccccc1N1CC(O)C1
InChIInChI=1S/C10H11NO2/c12-7-8-3-1-2-4-10(8)11-5-9(13)6-11/h1-4,7,9,13H,5-6H2
InChIKeyBLPXEYNJWOATKK-UHFFFAOYSA-N
XLogP0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-hydroxyazetidin-1-yl)benzaldehyde?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)benzaldehyde (CID 130858337) is 2-(3-hydroxyazetidin-1-yl)benzaldehyde.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)benzaldehyde?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)benzaldehyde is O=Cc1ccccc1N1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)benzaldehyde?
The InChIKey is BLPXEYNJWOATKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-7-8-3-1-2-4-10(8)11-5-9(13)6-11/h1-4,7,9,13H,5-6H2.
What are the key properties of 2-(3-hydroxyazetidin-1-yl)benzaldehyde?
2-(3-hydroxyazetidin-1-yl)benzaldehyde has a molecular weight of 177.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)benzaldehyde is sourced from PubChem (CID 130858337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).