2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine

C15H17N — CID 146317905

IUPAC2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine
SMILESC=CC=C=C1C=C(C(=C)C)C=CN1C(=C)C
InChIInChI=1S/C15H17N/c1-6-7-8-15-11-14(12(2)3)9-10-16(15)13(4)5/h6-7,9-11H,1-2,4H2,3,5H3
InChIKeyWFKSEVASNBAUEL-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.08
Rot. Bonds3

About 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine

2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine (PubChem CID 146317905) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine.

Molecular Properties

Compound Name2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine
PubChem CID146317905
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine
SMILESC=CC=C=C1C=C(C(=C)C)C=CN1C(=C)C
InChIInChI=1S/C15H17N/c1-6-7-8-15-11-14(12(2)3)9-10-16(15)13(4)5/h6-7,9-11H,1-2,4H2,3,5H3
InChIKeyWFKSEVASNBAUEL-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.08
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 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine?
The IUPAC name of 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine (CID 146317905) is 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine.
What is the SMILES notation for 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine?
The canonical SMILES for 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine is C=CC=C=C1C=C(C(=C)C)C=CN1C(=C)C.
What is the InChIKey of 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine?
The InChIKey is WFKSEVASNBAUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-6-7-8-15-11-14(12(2)3)9-10-16(15)13(4)5/h6-7,9-11H,1-2,4H2,3,5H3.
What are the key properties of 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine?
2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine has a molecular weight of 211.31 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dienylidene-1,4-bis(prop-1-en-2-yl)pyridine is sourced from PubChem (CID 146317905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).