3-propyl-1,2-dihydropyridine

C8H13N — CID 21448683

IUPAC3-propyl-1,2-dihydropyridine
SMILESCCCC1=CC=CNC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h3,5-6,9H,2,4,7H2,1H3
InChIKeyHUDVJMGLSHFXAR-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.83
Rot. Bonds2

About 3-propyl-1,2-dihydropyridine

3-propyl-1,2-dihydropyridine (PubChem CID 21448683) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-propyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-propyl-1,2-dihydropyridine
PubChem CID21448683
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-propyl-1,2-dihydropyridine
SMILESCCCC1=CC=CNC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h3,5-6,9H,2,4,7H2,1H3
InChIKeyHUDVJMGLSHFXAR-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propyl-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 3-propyl-1,2-dihydropyridine?
The IUPAC name of 3-propyl-1,2-dihydropyridine (CID 21448683) is 3-propyl-1,2-dihydropyridine.
What is the SMILES notation for 3-propyl-1,2-dihydropyridine?
The canonical SMILES for 3-propyl-1,2-dihydropyridine is CCCC1=CC=CNC1.
What is the InChIKey of 3-propyl-1,2-dihydropyridine?
The InChIKey is HUDVJMGLSHFXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h3,5-6,9H,2,4,7H2,1H3.
What are the key properties of 3-propyl-1,2-dihydropyridine?
3-propyl-1,2-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,2-dihydropyridine is sourced from PubChem (CID 21448683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).