2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine

C11H13N — CID 145498149

IUPAC2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
SMILESC=C/C=C(\C)c1ccc(C)nc1
InChIInChI=1S/C11H13N/c1-4-5-9(2)11-7-6-10(3)12-8-11/h4-8H,1H2,2-3H3/b9-5+
InChIKeyZDHDFYXIABOWET-WEVVVXLNSA-N
MW159.23 g/mol
LogP2.98
Rot. Bonds2

About 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine

2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine (PubChem CID 145498149) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
PubChem CID145498149
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
SMILESC=C/C=C(\C)c1ccc(C)nc1
InChIInChI=1S/C11H13N/c1-4-5-9(2)11-7-6-10(3)12-8-11/h4-8H,1H2,2-3H3/b9-5+
InChIKeyZDHDFYXIABOWET-WEVVVXLNSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.98
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-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine?
The IUPAC name of 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine (CID 145498149) is 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine.
What is the SMILES notation for 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine?
The canonical SMILES for 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine is C=C/C=C(\C)c1ccc(C)nc1.
What is the InChIKey of 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine?
The InChIKey is ZDHDFYXIABOWET-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H13N/c1-4-5-9(2)11-7-6-10(3)12-8-11/h4-8H,1H2,2-3H3/b9-5+.
What are the key properties of 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine?
2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine is sourced from PubChem (CID 145498149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).