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

C7H13NO — CID 118343778

IUPAC3-methoxy-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1C=CCN(C)C1
InChIInChI=1S/C7H13NO/c1-8-5-3-4-7(6-8)9-2/h3-4,7H,5-6H2,1-2H3
InChIKeyNSHQORQSNPIKOB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.50
Rot. Bonds1

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

3-methoxy-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 118343778) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-methoxy-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID118343778
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methoxy-1-methyl-3,6-dihydro-2H-pyridine
SMILESCOC1C=CCN(C)C1
InChIInChI=1S/C7H13NO/c1-8-5-3-4-7(6-8)9-2/h3-4,7H,5-6H2,1-2H3
InChIKeyNSHQORQSNPIKOB-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
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

1-Methyl-1,2,3,6-tetrahydropyridin-3-yl acetate
CID 54131508
2-methoxy-N,N-dimethylbut-3-en-1-amine
CID 20798624
3-propan-2-yloxy-3,6-dihydro-2H-pyridin-1-ide;rubidium(1+)
CID 57751838
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
(2S,3R)-3-methoxy-1,2,5-trimethyl-3,6-dihydro-2H-pyridine
CID 59885944
1-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
CID 67489411
3-Methoxy-1,2,3,6-tetrahydropyridine
CID 68102964
Triethyl(2-methoxypent-3-enyl)azanium
CID 89008204
[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl] carbonochloridate
CID 89285752
4-Methyl-2-(3-methylbut-1-enyl)morpholine
CID 91270593
3-methoxy-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936454
1-(3-methoxy-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 118343775

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine (CID 118343778) is 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine is COC1C=CCN(C)C1.
What is the InChIKey of 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is NSHQORQSNPIKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-4-7(6-8)9-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine?
3-methoxy-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 127.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 118343778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).