2-but-3-ynyl-2,3-dihydropyridine

C9H11N — CID 143799415

IUPAC2-but-3-ynyl-2,3-dihydropyridine
SMILESC#CCCC1CC=CC=N1
InChIInChI=1S/C9H11N/c1-2-3-6-9-7-4-5-8-10-9/h1,4-5,8-9H,3,6-7H2
InChIKeyADFHAEYQTCCGJF-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.80
Rot. Bonds2

About 2-but-3-ynyl-2,3-dihydropyridine

2-but-3-ynyl-2,3-dihydropyridine (PubChem CID 143799415) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-but-3-ynyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-but-3-ynyl-2,3-dihydropyridine
PubChem CID143799415
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-but-3-ynyl-2,3-dihydropyridine
SMILESC#CCCC1CC=CC=N1
InChIInChI=1S/C9H11N/c1-2-3-6-9-7-4-5-8-10-9/h1,4-5,8-9H,3,6-7H2
InChIKeyADFHAEYQTCCGJF-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.80
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 2-but-3-ynyl-2,3-dihydropyridine?
The IUPAC name of 2-but-3-ynyl-2,3-dihydropyridine (CID 143799415) is 2-but-3-ynyl-2,3-dihydropyridine.
What is the SMILES notation for 2-but-3-ynyl-2,3-dihydropyridine?
The canonical SMILES for 2-but-3-ynyl-2,3-dihydropyridine is C#CCCC1CC=CC=N1.
What is the InChIKey of 2-but-3-ynyl-2,3-dihydropyridine?
The InChIKey is ADFHAEYQTCCGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-3-6-9-7-4-5-8-10-9/h1,4-5,8-9H,3,6-7H2.
What are the key properties of 2-but-3-ynyl-2,3-dihydropyridine?
2-but-3-ynyl-2,3-dihydropyridine has a molecular weight of 133.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-2,3-dihydropyridine is sourced from PubChem (CID 143799415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).