6-methoxy-1-propyl-3,6-dihydro-2H-pyridine

C9H17NO — CID 173438197

IUPAC6-methoxy-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=CC1OC
InChIInChI=1S/C9H17NO/c1-3-7-10-8-5-4-6-9(10)11-2/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyAPSZAZZEENHRRS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.63
Rot. Bonds3

About 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine

6-methoxy-1-propyl-3,6-dihydro-2H-pyridine (PubChem CID 173438197) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-methoxy-1-propyl-3,6-dihydro-2H-pyridine
PubChem CID173438197
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-methoxy-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=CC1OC
InChIInChI=1S/C9H17NO/c1-3-7-10-8-5-4-6-9(10)11-2/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyAPSZAZZEENHRRS-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine (CID 173438197) is 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine is CCCN1CCC=CC1OC.
What is the InChIKey of 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine?
The InChIKey is APSZAZZEENHRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-7-10-8-5-4-6-9(10)11-2/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine?
6-methoxy-1-propyl-3,6-dihydro-2H-pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 173438197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).