6-(azet-2-yl)-1,2,3,6-tetrahydropyridine

C8H10N2 — CID 67616020

IUPAC6-(azet-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CC(C2=NC=C2)NCC1
InChIInChI=1S/C8H10N2/c1-2-5-9-7(3-1)8-4-6-10-8/h1,3-4,6-7,9H,2,5H2
InChIKeyVXIDBMMLVDRBMX-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds1

About 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine

6-(azet-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 67616020) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-(azet-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID67616020
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name6-(azet-2-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CC(C2=NC=C2)NCC1
InChIInChI=1S/C8H10N2/c1-2-5-9-7(3-1)8-4-6-10-8/h1,3-4,6-7,9H,2,5H2
InChIKeyVXIDBMMLVDRBMX-UHFFFAOYSA-N
XLogP0.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine (CID 67616020) is 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine is C1=CC(C2=NC=C2)NCC1.
What is the InChIKey of 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VXIDBMMLVDRBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-5-9-7(3-1)8-4-6-10-8/h1,3-4,6-7,9H,2,5H2.
What are the key properties of 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine?
6-(azet-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 134.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azet-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 67616020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).