(1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one

C19H16N2O — CID 155555038

IUPAC(1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one
SMILESO=C(/C=C/C=C/c1ccccn1)/C=C/C=C/c1ccccn1
InChIInChI=1S/C19H16N2O/c22-19(13-3-1-9-17-11-5-7-15-20-17)14-4-2-10-18-12-6-8-16-21-18/h1-16H/b9-1+,10-2+,13-3+,14-4+
InChIKeyIBWNTFZHEYOIIX-NGWTZUENSA-N
MW288.35 g/mol
LogP3.88
Rot. Bonds6

About (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one

(1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one (PubChem CID 155555038) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one.

Molecular Properties

Compound Name(1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one
PubChem CID155555038
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one
SMILESO=C(/C=C/C=C/c1ccccn1)/C=C/C=C/c1ccccn1
InChIInChI=1S/C19H16N2O/c22-19(13-3-1-9-17-11-5-7-15-20-17)14-4-2-10-18-12-6-8-16-21-18/h1-16H/b9-1+,10-2+,13-3+,14-4+
InChIKeyIBWNTFZHEYOIIX-NGWTZUENSA-N
XLogP3.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one?
The IUPAC name of (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one (CID 155555038) is (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one.
What is the SMILES notation for (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one?
The canonical SMILES for (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one is O=C(/C=C/C=C/c1ccccn1)/C=C/C=C/c1ccccn1.
What is the InChIKey of (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one?
The InChIKey is IBWNTFZHEYOIIX-NGWTZUENSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19(13-3-1-9-17-11-5-7-15-20-17)14-4-2-10-18-12-6-8-16-21-18/h1-16H/b9-1+,10-2+,13-3+,14-4+.
What are the key properties of (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one?
(1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one has a molecular weight of 288.35 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,6E,8E)-1,9-dipyridin-2-ylnona-1,3,6,8-tetraen-5-one is sourced from PubChem (CID 155555038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).