ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine

C14H19N — CID 143793777

IUPACethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
SMILESC=C/C=C\C(=C/C)c1cccnc1.CC
InChIInChI=1S/C12H13N.C2H6/c1-3-5-7-11(4-2)12-8-6-9-13-10-12;1-2/h3-10H,1H2,2H3;1-2H3/b7-5-,11-4+;
InChIKeyKMYYHJSZPICKHI-PVSPSWHJSA-N
MW201.31 g/mol
LogP4.25
Rot. Bonds3

About ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine

ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine (PubChem CID 143793777) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine.

Molecular Properties

Compound Nameethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
PubChem CID143793777
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Nameethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
SMILESC=C/C=C\C(=C/C)c1cccnc1.CC
InChIInChI=1S/C12H13N.C2H6/c1-3-5-7-11(4-2)12-8-6-9-13-10-12;1-2/h3-10H,1H2,2H3;1-2H3/b7-5-,11-4+;
InChIKeyKMYYHJSZPICKHI-PVSPSWHJSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine 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 ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine?
The IUPAC name of ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine (CID 143793777) is ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine.
What is the SMILES notation for ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine?
The canonical SMILES for ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine is C=C/C=C\C(=C/C)c1cccnc1.CC.
What is the InChIKey of ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine?
The InChIKey is KMYYHJSZPICKHI-PVSPSWHJSA-N. The full InChI is InChI=1S/C12H13N.C2H6/c1-3-5-7-11(4-2)12-8-6-9-13-10-12;1-2/h3-10H,1H2,2H3;1-2H3/b7-5-,11-4+;.
What are the key properties of ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine?
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine has a molecular weight of 201.31 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine is sourced from PubChem (CID 143793777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).