oxane;1,2,3,6-tetrahydropyridine

C10H19NO — CID 69362981

IUPACoxane;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1CCOCC1
InChIInChI=1S/C5H9N.C5H10O/c2*1-2-4-6-5-3-1/h1-2,6H,3-5H2;1-5H2
InChIKeyTZNQGEXTJUNQAQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds

About oxane;1,2,3,6-tetrahydropyridine

oxane;1,2,3,6-tetrahydropyridine (PubChem CID 69362981) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is oxane;1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameoxane;1,2,3,6-tetrahydropyridine
PubChem CID69362981
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameoxane;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.C1CCOCC1
InChIInChI=1S/C5H9N.C5H10O/c2*1-2-4-6-5-3-1/h1-2,6H,3-5H2;1-5H2
InChIKeyTZNQGEXTJUNQAQ-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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 oxane;1,2,3,6-tetrahydropyridine?
The IUPAC name of oxane;1,2,3,6-tetrahydropyridine (CID 69362981) is oxane;1,2,3,6-tetrahydropyridine.
What is the SMILES notation for oxane;1,2,3,6-tetrahydropyridine?
The canonical SMILES for oxane;1,2,3,6-tetrahydropyridine is C1=CCNCC1.C1CCOCC1.
What is the InChIKey of oxane;1,2,3,6-tetrahydropyridine?
The InChIKey is TZNQGEXTJUNQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C5H10O/c2*1-2-4-6-5-3-1/h1-2,6H,3-5H2;1-5H2.
What are the key properties of oxane;1,2,3,6-tetrahydropyridine?
oxane;1,2,3,6-tetrahydropyridine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 69362981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).