2-methoxy-1,2,3,6-tetrahydropyridine

C6H11NO — CID 141056370

IUPAC2-methoxy-1,2,3,6-tetrahydropyridine
SMILESCOC1CC=CCN1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyIBJRSHKVJJOGKY-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.51
Rot. Bonds1

About 2-methoxy-1,2,3,6-tetrahydropyridine

2-methoxy-1,2,3,6-tetrahydropyridine (PubChem CID 141056370) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methoxy-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methoxy-1,2,3,6-tetrahydropyridine
PubChem CID141056370
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methoxy-1,2,3,6-tetrahydropyridine
SMILESCOC1CC=CCN1
InChIInChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyIBJRSHKVJJOGKY-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 145908099
6-Methoxy-1,2,3,6-tetrahydropyridine
CID 70426649
2-methoxy-2,3,4,7-tetrahydro-1H-azepine
CID 70438652
(Z)-5-ethoxy-N-methylpent-2-en-1-amine
CID 89469234
6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine
CID 90061159
(Z)-6-methoxy-N-methylhex-3-en-1-amine
CID 117267285
N-ethyl-3,6-dihydro-2H-pyran-2-amine
CID 143576066
1,2,3,6-Tetrahydropyridin-2-ol
CID 154546326
(3Z)-1-methoxy-N-methylhexa-3,5-dien-1-amine
CID 156451083
2,6-Dimethoxy-1,2,3,6-tetrahydropyridine
CID 160599293
1-methoxy-N-methylbut-3-en-1-amine
CID 175234574

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methoxy-1,2,3,6-tetrahydropyridine (CID 141056370) is 2-methoxy-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methoxy-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methoxy-1,2,3,6-tetrahydropyridine is COC1CC=CCN1.
What is the InChIKey of 2-methoxy-1,2,3,6-tetrahydropyridine?
The InChIKey is IBJRSHKVJJOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-methoxy-1,2,3,6-tetrahydropyridine?
2-methoxy-1,2,3,6-tetrahydropyridine has a molecular weight of 113.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 141056370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).