(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine

C15H15N — CID 88561271

IUPAC(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine
SMILESC=C/C=C\C=C/C=c1/nccc/c1=C/C=C
InChIInChI=1S/C15H15N/c1-3-5-6-7-8-12-15-14(10-4-2)11-9-13-16-15/h3-13H,1-2H2/b6-5-,8-7-,14-10-,15-12+
InChIKeyOGXIZJXLASQCOU-VFKAKFQKSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds4

About (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine

(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine (PubChem CID 88561271) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine.

Molecular Properties

Compound Name(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine
PubChem CID88561271
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine
SMILESC=C/C=C\C=C/C=c1/nccc/c1=C/C=C
InChIInChI=1S/C15H15N/c1-3-5-6-7-8-12-15-14(10-4-2)11-9-13-16-15/h3-13H,1-2H2/b6-5-,8-7-,14-10-,15-12+
InChIKeyOGXIZJXLASQCOU-VFKAKFQKSA-N
XLogP2.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine?
The IUPAC name of (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine (CID 88561271) is (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine.
What is the SMILES notation for (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine?
The canonical SMILES for (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine is C=C/C=C\C=C/C=c1/nccc/c1=C/C=C.
What is the InChIKey of (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine?
The InChIKey is OGXIZJXLASQCOU-VFKAKFQKSA-N. The full InChI is InChI=1S/C15H15N/c1-3-5-6-7-8-12-15-14(10-4-2)11-9-13-16-15/h3-13H,1-2H2/b6-5-,8-7-,14-10-,15-12+.
What are the key properties of (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine?
(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine has a molecular weight of 209.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine is sourced from PubChem (CID 88561271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).