2-(2-methoxyethoxy)-1,2-dihydropyridine

C8H13NO2 — CID 77478651

IUPAC2-(2-methoxyethoxy)-1,2-dihydropyridine
SMILESCOCCOC1C=CC=CN1
InChIInChI=1S/C8H13NO2/c1-10-6-7-11-8-4-2-3-5-9-8/h2-5,8-9H,6-7H2,1H3
InChIKeySMUSHTJCLHYFFU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.65
Rot. Bonds4

About 2-(2-methoxyethoxy)-1,2-dihydropyridine

2-(2-methoxyethoxy)-1,2-dihydropyridine (PubChem CID 77478651) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1,2-dihydropyridine
PubChem CID77478651
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(2-methoxyethoxy)-1,2-dihydropyridine
SMILESCOCCOC1C=CC=CN1
InChIInChI=1S/C8H13NO2/c1-10-6-7-11-8-4-2-3-5-9-8/h2-5,8-9H,6-7H2,1H3
InChIKeySMUSHTJCLHYFFU-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1,2-dihydropyridine?
The IUPAC name of 2-(2-methoxyethoxy)-1,2-dihydropyridine (CID 77478651) is 2-(2-methoxyethoxy)-1,2-dihydropyridine.
What is the SMILES notation for 2-(2-methoxyethoxy)-1,2-dihydropyridine?
The canonical SMILES for 2-(2-methoxyethoxy)-1,2-dihydropyridine is COCCOC1C=CC=CN1.
What is the InChIKey of 2-(2-methoxyethoxy)-1,2-dihydropyridine?
The InChIKey is SMUSHTJCLHYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-6-7-11-8-4-2-3-5-9-8/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-1,2-dihydropyridine?
2-(2-methoxyethoxy)-1,2-dihydropyridine has a molecular weight of 155.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1,2-dihydropyridine is sourced from PubChem (CID 77478651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).