4-[(E)-benzylideneamino]oxybenzonitrile

C14H10N2O — CID 24974418

IUPAC4-[(E)-benzylideneamino]oxybenzonitrile
SMILESN#Cc1ccc(O/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H10N2O/c15-10-12-6-8-14(9-7-12)17-16-11-13-4-2-1-3-5-13/h1-9,11H/b16-11+
InChIKeyPNFONWBXDMTCCP-LFIBNONCSA-N
MW222.25 g/mol
LogP2.97
Rot. Bonds3

About 4-[(E)-benzylideneamino]oxybenzonitrile

4-[(E)-benzylideneamino]oxybenzonitrile (PubChem CID 24974418) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(E)-benzylideneamino]oxybenzonitrile.

Molecular Properties

Compound Name4-[(E)-benzylideneamino]oxybenzonitrile
PubChem CID24974418
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-[(E)-benzylideneamino]oxybenzonitrile
SMILESN#Cc1ccc(O/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H10N2O/c15-10-12-6-8-14(9-7-12)17-16-11-13-4-2-1-3-5-13/h1-9,11H/b16-11+
InChIKeyPNFONWBXDMTCCP-LFIBNONCSA-N
XLogP2.97
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.97
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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Related Compounds

(E)-1-(4-methoxyphenyl)-N-phenoxymethanimine
CID 11790929
4-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]benzonitrile
CID 121013328
4-[(E)-1,2-diphenylethenoxy]benzonitrile
CID 102486834
3-[(E)-benzylideneamino]oxybenzoic acid
CID 11333939
N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
CID 19661465
(14N)benzonitrile
CID 102268532
(E)-1-phenyl-N-[3-(trifluoromethyl)phenoxy]methanimine
CID 11357564
(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
CID 11242540
sodium 4-[(Z)-oxidoiminomethyl]benzonitrile
CID 101116891
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
(4-cyanophenyl) phenyl sulfite
CID 71336896
azane;benzene-1,4-dicarbonitrile
CID 174336566

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-benzylideneamino]oxybenzonitrile?
The IUPAC name of 4-[(E)-benzylideneamino]oxybenzonitrile (CID 24974418) is 4-[(E)-benzylideneamino]oxybenzonitrile.
What is the SMILES notation for 4-[(E)-benzylideneamino]oxybenzonitrile?
The canonical SMILES for 4-[(E)-benzylideneamino]oxybenzonitrile is N#Cc1ccc(O/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-benzylideneamino]oxybenzonitrile?
The InChIKey is PNFONWBXDMTCCP-LFIBNONCSA-N. The full InChI is InChI=1S/C14H10N2O/c15-10-12-6-8-14(9-7-12)17-16-11-13-4-2-1-3-5-13/h1-9,11H/b16-11+.
What are the key properties of 4-[(E)-benzylideneamino]oxybenzonitrile?
4-[(E)-benzylideneamino]oxybenzonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-benzylideneamino]oxybenzonitrile is sourced from PubChem (CID 24974418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).