6-methoxy-5-methyl-3,4-dihydropyridine

C7H11NO — CID 89340727

IUPAC6-methoxy-5-methyl-3,4-dihydropyridine
SMILESCOC1=C(C)CCC=N1
InChIInChI=1S/C7H11NO/c1-6-4-3-5-8-7(6)9-2/h5H,3-4H2,1-2H3
InChIKeyUKBHZMZMIWHDFG-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.73
Rot. Bonds1

About 6-methoxy-5-methyl-3,4-dihydropyridine

6-methoxy-5-methyl-3,4-dihydropyridine (PubChem CID 89340727) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-methoxy-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methoxy-5-methyl-3,4-dihydropyridine
PubChem CID89340727
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-methoxy-5-methyl-3,4-dihydropyridine
SMILESCOC1=C(C)CCC=N1
InChIInChI=1S/C7H11NO/c1-6-4-3-5-8-7(6)9-2/h5H,3-4H2,1-2H3
InChIKeyUKBHZMZMIWHDFG-UHFFFAOYSA-N
XLogP1.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-5-methyl-3,4-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-3,4-dihydropyridine?
The IUPAC name of 6-methoxy-5-methyl-3,4-dihydropyridine (CID 89340727) is 6-methoxy-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-methoxy-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-methoxy-5-methyl-3,4-dihydropyridine is COC1=C(C)CCC=N1.
What is the InChIKey of 6-methoxy-5-methyl-3,4-dihydropyridine?
The InChIKey is UKBHZMZMIWHDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-3-5-8-7(6)9-2/h5H,3-4H2,1-2H3.
What are the key properties of 6-methoxy-5-methyl-3,4-dihydropyridine?
6-methoxy-5-methyl-3,4-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 89340727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).