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

C6H11NO — CID 19046682

IUPAC2-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1CCC=CN1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h3,5-7H,2,4H2,1H3
InChIKeyNNHWWCDFXRQHJO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds1

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

2-methoxy-1,2,3,4-tetrahydropyridine (PubChem CID 19046682) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methoxy-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-methoxy-1,2,3,4-tetrahydropyridine
PubChem CID19046682
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methoxy-1,2,3,4-tetrahydropyridine
SMILESCOC1CCC=CN1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h3,5-7H,2,4H2,1H3
InChIKeyNNHWWCDFXRQHJO-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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Related Compounds

2-Hydroxytetrahydropyridine
CID 66926888
6-Fluoro-2-methoxy-1,2,3,4-tetrahydropyridine
CID 165085450
6-Ethoxy-1,4,5,6-tetrahydropyridine
CID 168499778
N-methyl-3,4-dihydro-2H-pyran-2-amine
CID 53420680
2-Butoxy-1,2,3,4-tetrahydropyridine
CID 70438177
2-methoxy-2,3,4,5-tetrahydro-1H-azepine
CID 70438653
2-methoxy-2,3-dihydro-1H-pyrrole
CID 70439263
2-(2-Bromoethoxy)-1,2,3,4-tetrahydropyridine
CID 151678000
Methoxymethane;1,2,3,4-tetrahydropyridine
CID 162765175
3,4-dihydro-2H-pyran;1,2,3,4-tetrahydropyridine
CID 172758156
3,4-dihydro-2H-pyran;2,3-dihydro-1H-pyrrole
CID 175093733
2-[(2-Methylpropan-2-yl)oxy]-1,2,3,4-tetrahydropyridine
CID 178855545

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-methoxy-1,2,3,4-tetrahydropyridine (CID 19046682) is 2-methoxy-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-methoxy-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-methoxy-1,2,3,4-tetrahydropyridine is COC1CCC=CN1.
What is the InChIKey of 2-methoxy-1,2,3,4-tetrahydropyridine?
The InChIKey is NNHWWCDFXRQHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-methoxy-1,2,3,4-tetrahydropyridine?
2-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 2-methoxy-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 19046682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).