5-ethyl-3-methoxy-1,2-dihydropyridine

C8H13NO — CID 166703136

IUPAC5-ethyl-3-methoxy-1,2-dihydropyridine
SMILESCCC1=CNCC(OC)=C1
InChIInChI=1S/C8H13NO/c1-3-7-4-8(10-2)6-9-5-7/h4-5,9H,3,6H2,1-2H3
InChIKeyXDBXZSNDROBGOW-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.41
Rot. Bonds2

About 5-ethyl-3-methoxy-1,2-dihydropyridine

5-ethyl-3-methoxy-1,2-dihydropyridine (PubChem CID 166703136) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-ethyl-3-methoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-3-methoxy-1,2-dihydropyridine
PubChem CID166703136
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-ethyl-3-methoxy-1,2-dihydropyridine
SMILESCCC1=CNCC(OC)=C1
InChIInChI=1S/C8H13NO/c1-3-7-4-8(10-2)6-9-5-7/h4-5,9H,3,6H2,1-2H3
InChIKeyXDBXZSNDROBGOW-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-3-methoxy-1,2-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 5-ethyl-3-methoxy-1,2-dihydropyridine?
The IUPAC name of 5-ethyl-3-methoxy-1,2-dihydropyridine (CID 166703136) is 5-ethyl-3-methoxy-1,2-dihydropyridine.
What is the SMILES notation for 5-ethyl-3-methoxy-1,2-dihydropyridine?
The canonical SMILES for 5-ethyl-3-methoxy-1,2-dihydropyridine is CCC1=CNCC(OC)=C1.
What is the InChIKey of 5-ethyl-3-methoxy-1,2-dihydropyridine?
The InChIKey is XDBXZSNDROBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-4-8(10-2)6-9-5-7/h4-5,9H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-3-methoxy-1,2-dihydropyridine?
5-ethyl-3-methoxy-1,2-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methoxy-1,2-dihydropyridine is sourced from PubChem (CID 166703136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).