5-methoxy-1-methyl-3,6-dihydro-2H-pyridine

C7H13NO — CID 14116970

IUPAC5-methoxy-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1=CCCN(C)C1
InChIInChI=1S/C7H13NO/c1-8-5-3-4-7(6-8)9-2/h4H,3,5-6H2,1-2H3
InChIKeyZVLYIVWDEAHCOQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds1

About 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine

5-methoxy-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 14116970) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methoxy-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID14116970
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-methoxy-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1=CCCN(C)C1
InChIInChI=1S/C7H13NO/c1-8-5-3-4-7(6-8)9-2/h4H,3,5-6H2,1-2H3
InChIKeyZVLYIVWDEAHCOQ-UHFFFAOYSA-N
XLogP0.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine (CID 14116970) is 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine is COC1=CCCN(C)C1.
What is the InChIKey of 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZVLYIVWDEAHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-4-7(6-8)9-2/h4H,3,5-6H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
5-methoxy-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 127.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14116970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).