3-(methoxymethyl)-6-methyl-2,3-dihydropyridine

C8H13NO — CID 56981604

IUPAC3-(methoxymethyl)-6-methyl-2,3-dihydropyridine
SMILESCOCC1C=CC(C)=NC1
InChIInChI=1S/C8H13NO/c1-7-3-4-8(5-9-7)6-10-2/h3-4,8H,5-6H2,1-2H3
InChIKeyXFNYVDHHLBOYKN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.28
Rot. Bonds2

About 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine

3-(methoxymethyl)-6-methyl-2,3-dihydropyridine (PubChem CID 56981604) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(methoxymethyl)-6-methyl-2,3-dihydropyridine
PubChem CID56981604
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(methoxymethyl)-6-methyl-2,3-dihydropyridine
SMILESCOCC1C=CC(C)=NC1
InChIInChI=1S/C8H13NO/c1-7-3-4-8(5-9-7)6-10-2/h3-4,8H,5-6H2,1-2H3
InChIKeyXFNYVDHHLBOYKN-UHFFFAOYSA-N
XLogP1.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine?
The IUPAC name of 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine (CID 56981604) is 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine is COCC1C=CC(C)=NC1.
What is the InChIKey of 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine?
The InChIKey is XFNYVDHHLBOYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-3-4-8(5-9-7)6-10-2/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine?
3-(methoxymethyl)-6-methyl-2,3-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 56981604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).