2-buta-1,2-dienyl-6-methylpyridine

C10H11N — CID 91801934

IUPAC2-buta-1,2-dienyl-6-methylpyridine
SMILESCC=C=Cc1cccc(C)n1
InChIInChI=1S/C10H11N/c1-3-4-7-10-8-5-6-9(2)11-10/h3,5-8H,1-2H3
InChIKeyJEMMNNBOCLQDMN-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.58
Rot. Bonds1

About 2-buta-1,2-dienyl-6-methylpyridine

2-buta-1,2-dienyl-6-methylpyridine (PubChem CID 91801934) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-buta-1,2-dienyl-6-methylpyridine.

Molecular Properties

Compound Name2-buta-1,2-dienyl-6-methylpyridine
PubChem CID91801934
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-buta-1,2-dienyl-6-methylpyridine
SMILESCC=C=Cc1cccc(C)n1
InChIInChI=1S/C10H11N/c1-3-4-7-10-8-5-6-9(2)11-10/h3,5-8H,1-2H3
InChIKeyJEMMNNBOCLQDMN-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-buta-1,2-dienyl-6-methylpyridine?
The IUPAC name of 2-buta-1,2-dienyl-6-methylpyridine (CID 91801934) is 2-buta-1,2-dienyl-6-methylpyridine.
What is the SMILES notation for 2-buta-1,2-dienyl-6-methylpyridine?
The canonical SMILES for 2-buta-1,2-dienyl-6-methylpyridine is CC=C=Cc1cccc(C)n1.
What is the InChIKey of 2-buta-1,2-dienyl-6-methylpyridine?
The InChIKey is JEMMNNBOCLQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-3-4-7-10-8-5-6-9(2)11-10/h3,5-8H,1-2H3.
What are the key properties of 2-buta-1,2-dienyl-6-methylpyridine?
2-buta-1,2-dienyl-6-methylpyridine has a molecular weight of 145.20 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,2-dienyl-6-methylpyridine is sourced from PubChem (CID 91801934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).