2-methyl-3-propoxy-1,2-dihydropyridine

C9H15NO — CID 173058092

IUPAC2-methyl-3-propoxy-1,2-dihydropyridine
SMILESCCCOC1=CC=CNC1C
InChIInChI=1S/C9H15NO/c1-3-7-11-9-5-4-6-10-8(9)2/h4-6,8,10H,3,7H2,1-2H3
InChIKeyGMJQYICKSDBLDX-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-3-propoxy-1,2-dihydropyridine

2-methyl-3-propoxy-1,2-dihydropyridine (PubChem CID 173058092) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-3-propoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-3-propoxy-1,2-dihydropyridine
PubChem CID173058092
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-3-propoxy-1,2-dihydropyridine
SMILESCCCOC1=CC=CNC1C
InChIInChI=1S/C9H15NO/c1-3-7-11-9-5-4-6-10-8(9)2/h4-6,8,10H,3,7H2,1-2H3
InChIKeyGMJQYICKSDBLDX-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-methyl-3-propoxy-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 2-methyl-3-propoxy-1,2-dihydropyridine?
The IUPAC name of 2-methyl-3-propoxy-1,2-dihydropyridine (CID 173058092) is 2-methyl-3-propoxy-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-3-propoxy-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-3-propoxy-1,2-dihydropyridine is CCCOC1=CC=CNC1C.
What is the InChIKey of 2-methyl-3-propoxy-1,2-dihydropyridine?
The InChIKey is GMJQYICKSDBLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-7-11-9-5-4-6-10-8(9)2/h4-6,8,10H,3,7H2,1-2H3.
What are the key properties of 2-methyl-3-propoxy-1,2-dihydropyridine?
2-methyl-3-propoxy-1,2-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propoxy-1,2-dihydropyridine is sourced from PubChem (CID 173058092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).