5-(methoxymethyl)-1,2,3,6-tetrahydropyridine

C7H13NO — CID 84716074

IUPAC5-(methoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCOCC1=CCCNC1
InChIInChI=1S/C7H13NO/c1-9-6-7-3-2-4-8-5-7/h3,8H,2,4-6H2,1H3
InChIKeyHAIYFLUFMYFVJX-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds2

About 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine

5-(methoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84716074) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84716074
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-(methoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCOCC1=CCCNC1
InChIInChI=1S/C7H13NO/c1-9-6-7-3-2-4-8-5-7/h3,8H,2,4-6H2,1H3
InChIKeyHAIYFLUFMYFVJX-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
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 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine (CID 84716074) is 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine is COCC1=CCCNC1.
What is the InChIKey of 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HAIYFLUFMYFVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-6-7-3-2-4-8-5-7/h3,8H,2,4-6H2,1H3.
What are the key properties of 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
5-(methoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84716074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).