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

C16H29N — CID 91339419

IUPACethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C=C\C=C1C=CN=CC1.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-2-3-4-5-10-6-8-11-9-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b4-3-,10-5?;;;
InChIKeyUITIHTGOMJBYHD-ZTBKXFGTSA-N
MW235.41 g/mol
LogP5.72
Rot. Bonds2

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

ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine (PubChem CID 91339419) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine.

Molecular Properties

Compound Nameethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine
PubChem CID91339419
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine
SMILESC=C/C=C\C=C1C=CN=CC1.CC.CC.CC
InChIInChI=1S/C10H11N.3C2H6/c1-2-3-4-5-10-6-8-11-9-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b4-3-,10-5?;;;
InChIKeyUITIHTGOMJBYHD-ZTBKXFGTSA-N
XLogP5.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.72
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 ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
The IUPAC name of ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine (CID 91339419) is ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine.
What is the SMILES notation for ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
The canonical SMILES for ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine is C=C/C=C\C=C1C=CN=CC1.CC.CC.CC.
What is the InChIKey of ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
The InChIKey is UITIHTGOMJBYHD-ZTBKXFGTSA-N. The full InChI is InChI=1S/C10H11N.3C2H6/c1-2-3-4-5-10-6-8-11-9-7-10;3*1-2/h2-6,8-9H,1,7H2;3*1-2H3/b4-3-,10-5?;;;.
What are the key properties of ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine?
ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine has a molecular weight of 235.41 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2Z)-penta-2,4-dienylidene]-3H-pyridine is sourced from PubChem (CID 91339419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).