2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol

C20H17N3O — CID 135893022

IUPAC2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol
SMILESC/C(=C\C(=N/c1ccccc1O)c1ccccn1)c1ccccn1
InChIInChI=1S/C20H17N3O/c1-15(16-8-4-6-12-21-16)14-19(17-9-5-7-13-22-17)23-18-10-2-3-11-20(18)24/h2-14,24H,1H3/b15-14+,23-19+
InChIKeyKPOKXRVLYZFJDR-JROXYKORSA-N
MW315.38 g/mol
LogP4.41
Rot. Bonds4

About 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol

2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol (PubChem CID 135893022) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol.

Molecular Properties

Compound Name2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol
PubChem CID135893022
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol
SMILESC/C(=C\C(=N/c1ccccc1O)c1ccccn1)c1ccccn1
InChIInChI=1S/C20H17N3O/c1-15(16-8-4-6-12-21-16)14-19(17-9-5-7-13-22-17)23-18-10-2-3-11-20(18)24/h2-14,24H,1H3/b15-14+,23-19+
InChIKeyKPOKXRVLYZFJDR-JROXYKORSA-N
XLogP4.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol?
The IUPAC name of 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol (CID 135893022) is 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol.
What is the SMILES notation for 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol?
The canonical SMILES for 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol is C/C(=C\C(=N/c1ccccc1O)c1ccccn1)c1ccccn1.
What is the InChIKey of 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol?
The InChIKey is KPOKXRVLYZFJDR-JROXYKORSA-N. The full InChI is InChI=1S/C20H17N3O/c1-15(16-8-4-6-12-21-16)14-19(17-9-5-7-13-22-17)23-18-10-2-3-11-20(18)24/h2-14,24H,1H3/b15-14+,23-19+.
What are the key properties of 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol?
2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol has a molecular weight of 315.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-1,3-dipyridin-2-ylbut-2-enylidene]amino]phenol is sourced from PubChem (CID 135893022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).