(1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one

C19H16N2O — CID 56954674

IUPAC(1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one
SMILESC=Cc1cccnc1/C=C/C(=O)/C=C/c1ncccc1C=C
InChIInChI=1S/C19H16N2O/c1-3-15-7-5-13-20-18(15)11-9-17(22)10-12-19-16(4-2)8-6-14-21-19/h3-14H,1-2H2/b11-9+,12-10+
InChIKeyBZZRYIOUTYDORR-WGDLNXRISA-N
MW288.35 g/mol
LogP4.06
Rot. Bonds6

About (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one (PubChem CID 56954674) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one
PubChem CID56954674
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one
SMILESC=Cc1cccnc1/C=C/C(=O)/C=C/c1ncccc1C=C
InChIInChI=1S/C19H16N2O/c1-3-15-7-5-13-20-18(15)11-9-17(22)10-12-19-16(4-2)8-6-14-21-19/h3-14H,1-2H2/b11-9+,12-10+
InChIKeyBZZRYIOUTYDORR-WGDLNXRISA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one with MolForge

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

Launch Full Analysis

Related Compounds

5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
4,4'-Bipyridine
CID 11107
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
2,3'-Bipyridine
CID 11389
2-Benzoylpyridine
CID 7038
1,2-Di(2-pyridyl)ethylene
CID 5374802
2,4'-Bipyridine
CID 68488
(2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone
CID 6018993
(2E)-3-(3-Pyridinyl)-1-(4-pyridinyl)-2-propen-1-one
CID 5720233
Anabasamine
CID 161313
2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
1-(2-Pyridyl)-2-(3-pyridyl)-ethylene
CID 5374801

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one (CID 56954674) is (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one is C=Cc1cccnc1/C=C/C(=O)/C=C/c1ncccc1C=C.
What is the InChIKey of (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one?
The InChIKey is BZZRYIOUTYDORR-WGDLNXRISA-N. The full InChI is InChI=1S/C19H16N2O/c1-3-15-7-5-13-20-18(15)11-9-17(22)10-12-19-16(4-2)8-6-14-21-19/h3-14H,1-2H2/b11-9+,12-10+.
What are the key properties of (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one has a molecular weight of 288.35 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(3-ethenyl-2-pyridinyl)penta-1,4-dien-3-one is sourced from PubChem (CID 56954674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).