4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine

C12H15NO — CID 146419745

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine
SMILESC/C=C\C(=C/C)Oc1ccnc(C)c1
InChIInChI=1S/C12H15NO/c1-4-6-11(5-2)14-12-7-8-13-10(3)9-12/h4-9H,1-3H3/b6-4-,11-5+
InChIKeyHJAMCZUHOIPRRN-NQTKGXIKSA-N
MW189.26 g/mol
LogP3.25
Rot. Bonds3

About 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine

4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine (PubChem CID 146419745) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine
PubChem CID146419745
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine
SMILESC/C=C\C(=C/C)Oc1ccnc(C)c1
InChIInChI=1S/C12H15NO/c1-4-6-11(5-2)14-12-7-8-13-10(3)9-12/h4-9H,1-3H3/b6-4-,11-5+
InChIKeyHJAMCZUHOIPRRN-NQTKGXIKSA-N
XLogP3.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine (CID 146419745) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine is C/C=C\C(=C/C)Oc1ccnc(C)c1.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine?
The InChIKey is HJAMCZUHOIPRRN-NQTKGXIKSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-6-11(5-2)14-12-7-8-13-10(3)9-12/h4-9H,1-3H3/b6-4-,11-5+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine has a molecular weight of 189.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2-methylpyridine is sourced from PubChem (CID 146419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).