3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine

C8H13NO2 — CID 173057993

IUPAC3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine
SMILESCOCC1NC=CC=C1OC
InChIInChI=1S/C8H13NO2/c1-10-6-7-8(11-2)4-3-5-9-7/h3-5,7,9H,6H2,1-2H3
InChIKeyAEVOJIIOSIJWHO-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.65
Rot. Bonds3

About 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine

3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine (PubChem CID 173057993) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine
PubChem CID173057993
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine
SMILESCOCC1NC=CC=C1OC
InChIInChI=1S/C8H13NO2/c1-10-6-7-8(11-2)4-3-5-9-7/h3-5,7,9H,6H2,1-2H3
InChIKeyAEVOJIIOSIJWHO-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine?
The IUPAC name of 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine (CID 173057993) is 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine is COCC1NC=CC=C1OC.
What is the InChIKey of 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine?
The InChIKey is AEVOJIIOSIJWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-6-7-8(11-2)4-3-5-9-7/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine?
3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine has a molecular weight of 155.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(methoxymethyl)-1,2-dihydropyridine is sourced from PubChem (CID 173057993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).