2-[(2-hydroxyphenyl)methylideneamino]benzonitrile

C14H10N2O — CID 613649

IUPAC2-[(2-hydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1ccccc1O
InChIInChI=1S/C14H10N2O/c15-9-11-5-1-3-7-13(11)16-10-12-6-2-4-8-14(12)17/h1-8,10,17H/b16-10+
InChIKeyIEWFISGZEVZDRK-MHWRWJLKSA-N
MW222.25 g/mol
LogP3.01
Rot. Bonds2

About 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile

2-[(2-hydroxyphenyl)methylideneamino]benzonitrile (PubChem CID 613649) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]benzonitrile
PubChem CID613649
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1ccccc1O
InChIInChI=1S/C14H10N2O/c15-9-11-5-1-3-7-13(11)16-10-12-6-2-4-8-14(12)17/h1-8,10,17H/b16-10+
InChIKeyIEWFISGZEVZDRK-MHWRWJLKSA-N
XLogP3.01
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile (CID 613649) is 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile is N#Cc1ccccc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
The InChIKey is IEWFISGZEVZDRK-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H10N2O/c15-9-11-5-1-3-7-13(11)16-10-12-6-2-4-8-14(12)17/h1-8,10,17H/b16-10+.
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
2-[(2-hydroxyphenyl)methylideneamino]benzonitrile has a molecular weight of 222.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 613649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).