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

C8H13NO — CID 163632761

IUPAC6-ethyl-2-methoxy-2,3-dihydropyridine
SMILESCCC1=NC(OC)CC=C1
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-8(9-7)10-2/h4-5,8H,3,6H2,1-2H3
InChIKeyHXNYTVGKNXMADJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.77
Rot. Bonds2

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

6-ethyl-2-methoxy-2,3-dihydropyridine (PubChem CID 163632761) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-2,3-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-2-methoxy-2,3-dihydropyridine
PubChem CID163632761
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name6-ethyl-2-methoxy-2,3-dihydropyridine
SMILESCCC1=NC(OC)CC=C1
InChIInChI=1S/C8H13NO/c1-3-7-5-4-6-8(9-7)10-2/h4-5,8H,3,6H2,1-2H3
InChIKeyHXNYTVGKNXMADJ-UHFFFAOYSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-2-methoxy-2,3-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-ethyl-2-methoxy-2,3-dihydropyridine?
The IUPAC name of 6-ethyl-2-methoxy-2,3-dihydropyridine (CID 163632761) is 6-ethyl-2-methoxy-2,3-dihydropyridine.
What is the SMILES notation for 6-ethyl-2-methoxy-2,3-dihydropyridine?
The canonical SMILES for 6-ethyl-2-methoxy-2,3-dihydropyridine is CCC1=NC(OC)CC=C1.
What is the InChIKey of 6-ethyl-2-methoxy-2,3-dihydropyridine?
The InChIKey is HXNYTVGKNXMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-5-4-6-8(9-7)10-2/h4-5,8H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-2-methoxy-2,3-dihydropyridine?
6-ethyl-2-methoxy-2,3-dihydropyridine has a molecular weight of 139.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-2,3-dihydropyridine is sourced from PubChem (CID 163632761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).