(4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine

C16H19N — CID 134550699

IUPAC(4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine
SMILESC=C/C=C(\C)C1=NC=C/C(=C/C=C\CC=C)C1
InChIInChI=1S/C16H19N/c1-4-6-7-8-10-15-11-12-17-16(13-15)14(3)9-5-2/h4-5,7-12H,1-2,6,13H2,3H3/b8-7-,14-9+,15-10-
InChIKeyRNXFGKWVSKFIFI-HBGISZIWSA-N
MW225.33 g/mol
LogP4.54
Rot. Bonds5

About (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine

(4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine (PubChem CID 134550699) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine.

Molecular Properties

Compound Name(4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine
PubChem CID134550699
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name(4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine
SMILESC=C/C=C(\C)C1=NC=C/C(=C/C=C\CC=C)C1
InChIInChI=1S/C16H19N/c1-4-6-7-8-10-15-11-12-17-16(13-15)14(3)9-5-2/h4-5,7-12H,1-2,6,13H2,3H3/b8-7-,14-9+,15-10-
InChIKeyRNXFGKWVSKFIFI-HBGISZIWSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine?
The IUPAC name of (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine (CID 134550699) is (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine.
What is the SMILES notation for (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine?
The canonical SMILES for (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine is C=C/C=C(\C)C1=NC=C/C(=C/C=C\CC=C)C1.
What is the InChIKey of (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine?
The InChIKey is RNXFGKWVSKFIFI-HBGISZIWSA-N. The full InChI is InChI=1S/C16H19N/c1-4-6-7-8-10-15-11-12-17-16(13-15)14(3)9-5-2/h4-5,7-12H,1-2,6,13H2,3H3/b8-7-,14-9+,15-10-.
What are the key properties of (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine?
(4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine has a molecular weight of 225.33 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2Z)-hexa-2,5-dienylidene]-2-[(2E)-penta-2,4-dien-2-yl]-3H-pyridine is sourced from PubChem (CID 134550699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).