1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine

C9H17NO — CID 177317447

IUPAC1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOCCN1CCC=C(C)C1
InChIInChI=1S/C9H17NO/c1-9-4-3-5-10(8-9)6-7-11-2/h4H,3,5-8H2,1-2H3
InChIKeyOCVKOCPIXQJPFZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds3

About 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine

1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 177317447) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID177317447
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
SMILESCOCCN1CCC=C(C)C1
InChIInChI=1S/C9H17NO/c1-9-4-3-5-10(8-9)6-7-11-2/h4H,3,5-8H2,1-2H3
InChIKeyOCVKOCPIXQJPFZ-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
4-[(2E)-3,7-dimethylocta-2,6-dienyl]morpholine
CID 11673016
4-[(2E)-2-ethylidene-6-methylhept-5-enyl]morpholine
CID 49780955
4-[(2Z)-3,7-dimethylocta-2,6-dienyl]morpholine
CID 101429376
4-[(2E,5E)-2-methylhepta-2,5-dienyl]morpholine
CID 12485221
4-[(2E)-2,6-dimethylhepta-2,5-dienyl]morpholine
CID 12485225
4-(2,6-Dimethylhepta-1,5-dien-3-yl)morpholine
CID 12485233
4-(2-Methyl-2-buten-1-yl)morpholine
CID 15727621
4-[(E)-pent-2-enyl]morpholine
CID 20351174

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine (CID 177317447) is 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine is COCCN1CCC=C(C)C1.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OCVKOCPIXQJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9-4-3-5-10(8-9)6-7-11-2/h4H,3,5-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine?
1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 177317447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).