2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile

C15H12N2O2 — CID 619815

IUPAC2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile
SMILESCOc1cccc(/C=N/c2ccccc2C#N)c1O
InChIInChI=1S/C15H12N2O2/c1-19-14-8-4-6-12(15(14)18)10-17-13-7-3-2-5-11(13)9-16/h2-8,10,18H,1H3/b17-10+
InChIKeyNXKJGMWKPVRYME-LICLKQGHSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds3

About 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile

2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile (PubChem CID 619815) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile
PubChem CID619815
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile
SMILESCOc1cccc(/C=N/c2ccccc2C#N)c1O
InChIInChI=1S/C15H12N2O2/c1-19-14-8-4-6-12(15(14)18)10-17-13-7-3-2-5-11(13)9-16/h2-8,10,18H,1H3/b17-10+
InChIKeyNXKJGMWKPVRYME-LICLKQGHSA-N
XLogP3.02
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile?
The IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile (CID 619815) is 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile?
The canonical SMILES for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile is COc1cccc(/C=N/c2ccccc2C#N)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile?
The InChIKey is NXKJGMWKPVRYME-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-14-8-4-6-12(15(14)18)10-17-13-7-3-2-5-11(13)9-16/h2-8,10,18H,1H3/b17-10+.
What are the key properties of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile?
2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile has a molecular weight of 252.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 619815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).