4-[(benzylideneamino)oxymethyl]benzonitrile

C15H12N2O — CID 2457905

IUPAC4-[(benzylideneamino)oxymethyl]benzonitrile
SMILESN#Cc1ccc(CON=Cc2ccccc2)cc1
InChIInChI=1S/C15H12N2O/c16-10-13-6-8-15(9-7-13)12-18-17-11-14-4-2-1-3-5-14/h1-9,11H,12H2
InChIKeyIGMHUEZBYRTJAB-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.11
Rot. Bonds4

About 4-[(benzylideneamino)oxymethyl]benzonitrile

4-[(benzylideneamino)oxymethyl]benzonitrile (PubChem CID 2457905) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(benzylideneamino)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(benzylideneamino)oxymethyl]benzonitrile
PubChem CID2457905
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-[(benzylideneamino)oxymethyl]benzonitrile
SMILESN#Cc1ccc(CON=Cc2ccccc2)cc1
InChIInChI=1S/C15H12N2O/c16-10-13-6-8-15(9-7-13)12-18-17-11-14-4-2-1-3-5-14/h1-9,11H,12H2
InChIKeyIGMHUEZBYRTJAB-UHFFFAOYSA-N
XLogP3.11
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(benzylideneamino)oxymethyl]benzonitrile?
The IUPAC name of 4-[(benzylideneamino)oxymethyl]benzonitrile (CID 2457905) is 4-[(benzylideneamino)oxymethyl]benzonitrile.
What is the SMILES notation for 4-[(benzylideneamino)oxymethyl]benzonitrile?
The canonical SMILES for 4-[(benzylideneamino)oxymethyl]benzonitrile is N#Cc1ccc(CON=Cc2ccccc2)cc1.
What is the InChIKey of 4-[(benzylideneamino)oxymethyl]benzonitrile?
The InChIKey is IGMHUEZBYRTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-10-13-6-8-15(9-7-13)12-18-17-11-14-4-2-1-3-5-14/h1-9,11H,12H2.
What are the key properties of 4-[(benzylideneamino)oxymethyl]benzonitrile?
4-[(benzylideneamino)oxymethyl]benzonitrile has a molecular weight of 236.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylideneamino)oxymethyl]benzonitrile is sourced from PubChem (CID 2457905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).