6-ethynyl-2-methyl-2,3-dihydropyridine

C8H9N — CID 122666715

IUPAC6-ethynyl-2-methyl-2,3-dihydropyridine
SMILESC#CC1=NC(C)CC=C1
InChIInChI=1S/C8H9N/c1-3-8-6-4-5-7(2)9-8/h1,4,6-7H,5H2,2H3
InChIKeyZYDOXYRMXLBWDL-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.41
Rot. Bonds

About 6-ethynyl-2-methyl-2,3-dihydropyridine

6-ethynyl-2-methyl-2,3-dihydropyridine (PubChem CID 122666715) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 6-ethynyl-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethynyl-2-methyl-2,3-dihydropyridine
PubChem CID122666715
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name6-ethynyl-2-methyl-2,3-dihydropyridine
SMILESC#CC1=NC(C)CC=C1
InChIInChI=1S/C8H9N/c1-3-8-6-4-5-7(2)9-8/h1,4,6-7H,5H2,2H3
InChIKeyZYDOXYRMXLBWDL-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-methyl-2,3-dihydropyridine?
The IUPAC name of 6-ethynyl-2-methyl-2,3-dihydropyridine (CID 122666715) is 6-ethynyl-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 6-ethynyl-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 6-ethynyl-2-methyl-2,3-dihydropyridine is C#CC1=NC(C)CC=C1.
What is the InChIKey of 6-ethynyl-2-methyl-2,3-dihydropyridine?
The InChIKey is ZYDOXYRMXLBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-3-8-6-4-5-7(2)9-8/h1,4,6-7H,5H2,2H3.
What are the key properties of 6-ethynyl-2-methyl-2,3-dihydropyridine?
6-ethynyl-2-methyl-2,3-dihydropyridine has a molecular weight of 119.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 122666715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).