1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine

C8H15NO — CID 67489411

IUPAC1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
SMILESCOCCN1CC=CCC1
InChIInChI=1S/C8H15NO/c1-10-8-7-9-5-3-2-4-6-9/h2-3H,4-8H2,1H3
InChIKeyNTKAIGKLOPOLEN-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.89
Rot. Bonds3

About 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine

1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine (PubChem CID 67489411) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
PubChem CID67489411
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
SMILESCOCCN1CC=CCC1
InChIInChI=1S/C8H15NO/c1-10-8-7-9-5-3-2-4-6-9/h2-3H,4-8H2,1H3
InChIKeyNTKAIGKLOPOLEN-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxy-1-methyl-1,2,3,6-tetrahydropyridine
CID 14116970
N-(3-penten-2-yl)-morpholine
CID 3828336
4-Pent-2-enylmorpholine
CID 68590211
4-[(2Z)-hept-2-en-1-yl]morpholine
CID 15266205
4-[(2e)-Hept-2-en-1-yl]morpholine
CID 87507666
4-[(E)-pent-3-en-2-yl]morpholine
CID 5934110
4-[(E)-hex-2-enyl]morpholine
CID 11309763
4-[(3E)-hepta-3,6-dien-2-yl]morpholine
CID 12485220
4-[(2E,5E)-2-methylhepta-2,5-dienyl]morpholine
CID 12485221
4-[(2E)-2,6-dimethylhepta-2,5-dienyl]morpholine
CID 12485225
4-[(E)-hex-4-en-3-yl]morpholine
CID 13464678
2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 17884058

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine (CID 67489411) is 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine is COCCN1CC=CCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is NTKAIGKLOPOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-8-7-9-5-3-2-4-6-9/h2-3H,4-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 141.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67489411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).