3-[(2-hydroxyphenyl)methylideneamino]benzonitrile

C14H10N2O — CID 613793

IUPAC3-[(2-hydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1cccc(/N=C/c2ccccc2O)c1
InChIInChI=1S/C14H10N2O/c15-9-11-4-3-6-13(8-11)16-10-12-5-1-2-7-14(12)17/h1-8,10,17H/b16-10+
InChIKeyMNEKPPWOMPRBIN-MHWRWJLKSA-N
MW222.25 g/mol
LogP3.01
Rot. Bonds2

About 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile

3-[(2-hydroxyphenyl)methylideneamino]benzonitrile (PubChem CID 613793) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylideneamino]benzonitrile
PubChem CID613793
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-[(2-hydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1cccc(/N=C/c2ccccc2O)c1
InChIInChI=1S/C14H10N2O/c15-9-11-4-3-6-13(8-11)16-10-12-5-1-2-7-14(12)17/h1-8,10,17H/b16-10+
InChIKeyMNEKPPWOMPRBIN-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 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
The IUPAC name of 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile (CID 613793) is 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile is N#Cc1cccc(/N=C/c2ccccc2O)c1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
The InChIKey is MNEKPPWOMPRBIN-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H10N2O/c15-9-11-4-3-6-13(8-11)16-10-12-5-1-2-7-14(12)17/h1-8,10,17H/b16-10+.
What are the key properties of 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile?
3-[(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 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 613793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).