4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium

C7H11NO2 — CID 130752437

IUPAC4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium
SMILESCOC1CC=[N+]([O-])C=C1C
InChIInChI=1S/C7H11NO2/c1-6-5-8(9)4-3-7(6)10-2/h4-5,7H,3H2,1-2H3
InChIKeyMISDZCFDVYZGAP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.89
Rot. Bonds1

About 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium

4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium (PubChem CID 130752437) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium
PubChem CID130752437
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium
SMILESCOC1CC=[N+]([O-])C=C1C
InChIInChI=1S/C7H11NO2/c1-6-5-8(9)4-3-7(6)10-2/h4-5,7H,3H2,1-2H3
InChIKeyMISDZCFDVYZGAP-UHFFFAOYSA-N
XLogP0.89
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium?
The IUPAC name of 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium (CID 130752437) is 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium.
What is the SMILES notation for 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium?
The canonical SMILES for 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium is COC1CC=[N+]([O-])C=C1C.
What is the InChIKey of 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium?
The InChIKey is MISDZCFDVYZGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-5-8(9)4-3-7(6)10-2/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium?
4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium has a molecular weight of 141.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1-oxido-3,4-dihydropyridin-1-ium is sourced from PubChem (CID 130752437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).