(4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine

C10H11N — CID 59876418

IUPAC(4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C=C\C=C1\C=CN=CC1
InChIInChI=1S/C10H11N/c1-2-3-4-5-10-6-8-11-9-7-10/h2-6,8-9H,1,7H2/b4-3-,10-5-
InChIKeyVJLMFMYOUZAYSH-QQTPKPIZSA-N
MW145.20 g/mol
LogP2.64
Rot. Bonds2

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

(4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine (PubChem CID 59876418) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine.

Molecular Properties

Compound Name(4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine
PubChem CID59876418
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C=C\C=C1\C=CN=CC1
InChIInChI=1S/C10H11N/c1-2-3-4-5-10-6-8-11-9-7-10/h2-6,8-9H,1,7H2/b4-3-,10-5-
InChIKeyVJLMFMYOUZAYSH-QQTPKPIZSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
The IUPAC name of (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine (CID 59876418) is (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine.
What is the SMILES notation for (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
The canonical SMILES for (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine is C=C/C=C\C=C1\C=CN=CC1.
What is the InChIKey of (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
The InChIKey is VJLMFMYOUZAYSH-QQTPKPIZSA-N. The full InChI is InChI=1S/C10H11N/c1-2-3-4-5-10-6-8-11-9-7-10/h2-6,8-9H,1,7H2/b4-3-,10-5-.
What are the key properties of (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
(4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine has a molecular weight of 145.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine is sourced from PubChem (CID 59876418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).