(4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine

C15H19N — CID 134433947

IUPAC(4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine
SMILESC/C=C\C(=C/C)c1cc(=C/C)/c(=C\C)cn1
InChIInChI=1S/C15H19N/c1-5-9-12(6-2)15-10-13(7-3)14(8-4)11-16-15/h5-11H,1-4H3/b9-5-,12-6+,13-7-,14-8-
InChIKeyJQKHAKFJLBVEQD-YKOXPIIVSA-N
MW213.32 g/mol
LogP2.66
Rot. Bonds2

About (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine

(4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine (PubChem CID 134433947) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine.

Molecular Properties

Compound Name(4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine
PubChem CID134433947
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine
SMILESC/C=C\C(=C/C)c1cc(=C/C)/c(=C\C)cn1
InChIInChI=1S/C15H19N/c1-5-9-12(6-2)15-10-13(7-3)14(8-4)11-16-15/h5-11H,1-4H3/b9-5-,12-6+,13-7-,14-8-
InChIKeyJQKHAKFJLBVEQD-YKOXPIIVSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.66
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 (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine?
The IUPAC name of (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine (CID 134433947) is (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine.
What is the SMILES notation for (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine?
The canonical SMILES for (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine is C/C=C\C(=C/C)c1cc(=C/C)/c(=C\C)cn1.
What is the InChIKey of (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine?
The InChIKey is JQKHAKFJLBVEQD-YKOXPIIVSA-N. The full InChI is InChI=1S/C15H19N/c1-5-9-12(6-2)15-10-13(7-3)14(8-4)11-16-15/h5-11H,1-4H3/b9-5-,12-6+,13-7-,14-8-.
What are the key properties of (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine?
(4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine has a molecular weight of 213.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4,5-di(ethylidene)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyridine is sourced from PubChem (CID 134433947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).