5-methoxy-1,2,3,4-tetrahydropyridine

C6H11NO — CID 170275449

IUPAC5-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1=CNCCC1
InChIInChI=1S/C6H11NO/c1-8-6-3-2-4-7-5-6/h5,7H,2-4H2,1H3
InChIKeyWYZNHSQRWXLLCT-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds1

About 5-methoxy-1,2,3,4-tetrahydropyridine

5-methoxy-1,2,3,4-tetrahydropyridine (PubChem CID 170275449) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydropyridine
PubChem CID170275449
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1=CNCCC1
InChIInChI=1S/C6H11NO/c1-8-6-3-2-4-7-5-6/h5,7H,2-4H2,1H3
InChIKeyWYZNHSQRWXLLCT-UHFFFAOYSA-N
XLogP0.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydropyridine (CID 170275449) is 5-methoxy-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydropyridine is COC1=CNCCC1.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydropyridine?
The InChIKey is WYZNHSQRWXLLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-3-2-4-7-5-6/h5,7H,2-4H2,1H3.
What are the key properties of 5-methoxy-1,2,3,4-tetrahydropyridine?
5-methoxy-1,2,3,4-tetrahydropyridine has a molecular weight of 113.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 170275449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).