(2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium

C17H19N4O+ — CID 70504326

IUPAC(2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium
SMILESC=CC[N+](CC=C)(N=Nc1ccccn1)c1ccccc1O
InChIInChI=1S/C17H18N4O/c1-3-13-21(14-4-2,15-9-5-6-10-16(15)22)20-19-17-11-7-8-12-18-17/h3-12H,1-2,13-14H2/p+1
InChIKeyZWCBSPXQMYGWGH-UHFFFAOYSA-O
MW295.37 g/mol
LogP4.17
Rot. Bonds7

About (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium

(2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium (PubChem CID 70504326) has the molecular formula C17H19N4O+ and a molecular weight of 295.37 g/mol. Its IUPAC name is (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium.

Molecular Properties

Compound Name(2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium
PubChem CID70504326
Molecular FormulaC17H19N4O+
Molecular Weight295.37 g/mol
Exact Mass295.16
IUPAC Name(2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium
SMILESC=CC[N+](CC=C)(N=Nc1ccccn1)c1ccccc1O
InChIInChI=1S/C17H18N4O/c1-3-13-21(14-4-2,15-9-5-6-10-16(15)22)20-19-17-11-7-8-12-18-17/h3-12H,1-2,13-14H2/p+1
InChIKeyZWCBSPXQMYGWGH-UHFFFAOYSA-O
XLogP4.17
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium?
The IUPAC name of (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium (CID 70504326) is (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium.
What is the SMILES notation for (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium?
The canonical SMILES for (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium is C=CC[N+](CC=C)(N=Nc1ccccn1)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium?
The InChIKey is ZWCBSPXQMYGWGH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O/c1-3-13-21(14-4-2,15-9-5-6-10-16(15)22)20-19-17-11-7-8-12-18-17/h3-12H,1-2,13-14H2/p+1.
What are the key properties of (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium?
(2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium has a molecular weight of 295.37 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium is sourced from PubChem (CID 70504326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).