5-methoxy-4-methyl-2,3-dihydropyridine

C7H11NO — CID 142998091

IUPAC5-methoxy-4-methyl-2,3-dihydropyridine
SMILESCOC1=C(C)CCN=C1
InChIInChI=1S/C7H11NO/c1-6-3-4-8-5-7(6)9-2/h5H,3-4H2,1-2H3
InChIKeyPJCRYNSSQKNXQV-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.38
Rot. Bonds1

About 5-methoxy-4-methyl-2,3-dihydropyridine

5-methoxy-4-methyl-2,3-dihydropyridine (PubChem CID 142998091) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methoxy-4-methyl-2,3-dihydropyridine
PubChem CID142998091
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-methoxy-4-methyl-2,3-dihydropyridine
SMILESCOC1=C(C)CCN=C1
InChIInChI=1S/C7H11NO/c1-6-3-4-8-5-7(6)9-2/h5H,3-4H2,1-2H3
InChIKeyPJCRYNSSQKNXQV-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2,3-dihydropyridine?
The IUPAC name of 5-methoxy-4-methyl-2,3-dihydropyridine (CID 142998091) is 5-methoxy-4-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-methoxy-4-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-methoxy-4-methyl-2,3-dihydropyridine is COC1=C(C)CCN=C1.
What is the InChIKey of 5-methoxy-4-methyl-2,3-dihydropyridine?
The InChIKey is PJCRYNSSQKNXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-4-8-5-7(6)9-2/h5H,3-4H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-2,3-dihydropyridine?
5-methoxy-4-methyl-2,3-dihydropyridine has a molecular weight of 125.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2,3-dihydropyridine is sourced from PubChem (CID 142998091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).