2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine

C9H15NO — CID 58869507

IUPAC2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine
SMILESCCC1NC(C)=CC=C1OC
InChIInChI=1S/C9H15NO/c1-4-8-9(11-3)6-5-7(2)10-8/h5-6,8,10H,4H2,1-3H3
InChIKeyWHURJUDWIYXYQS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds2

About 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine

2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine (PubChem CID 58869507) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine
PubChem CID58869507
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine
SMILESCCC1NC(C)=CC=C1OC
InChIInChI=1S/C9H15NO/c1-4-8-9(11-3)6-5-7(2)10-8/h5-6,8,10H,4H2,1-3H3
InChIKeyWHURJUDWIYXYQS-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine?
The IUPAC name of 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine (CID 58869507) is 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine is CCC1NC(C)=CC=C1OC.
What is the InChIKey of 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine?
The InChIKey is WHURJUDWIYXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8-9(11-3)6-5-7(2)10-8/h5-6,8,10H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine?
2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 58869507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).