4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine

C13H12N2O — CID 19741860

IUPAC4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=CC=C2C=CN(O)C=C2)C=C1
InChIInChI=1S/C13H12N2O/c14-13-5-3-11(4-6-13)1-2-12-7-9-15(16)10-8-12/h1-10,14,16H/b11-1-,14-13+
InChIKeyHBXKXDBQJOYNIG-XHRURTFKSA-N
MW212.25 g/mol
LogP2.72
Rot. Bonds1

About 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine

4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine (PubChem CID 19741860) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
PubChem CID19741860
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=CC=C2C=CN(O)C=C2)C=C1
InChIInChI=1S/C13H12N2O/c14-13-5-3-11(4-6-13)1-2-12-7-9-15(16)10-8-12/h1-10,14,16H/b11-1-,14-13+
InChIKeyHBXKXDBQJOYNIG-XHRURTFKSA-N
XLogP2.72
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
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 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine (CID 19741860) is 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine is [H]N=C1C=CC(=CC=C2C=CN(O)C=C2)C=C1.
What is the InChIKey of 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine?
The InChIKey is HBXKXDBQJOYNIG-XHRURTFKSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13-5-3-11(4-6-13)1-2-12-7-9-15(16)10-8-12/h1-10,14,16H/b11-1-,14-13+.
What are the key properties of 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine?
4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine has a molecular weight of 212.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxy-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 19741860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).