4-pentyl-2,3-dihydropyridine

C10H17N — CID 70041347

IUPAC4-pentyl-2,3-dihydropyridine
SMILESCCCCCC1=CC=NCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-10-6-8-11-9-7-10/h6,8H,2-5,7,9H2,1H3
InChIKeyRDOJYZCJVJXLBL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds4

About 4-pentyl-2,3-dihydropyridine

4-pentyl-2,3-dihydropyridine (PubChem CID 70041347) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-pentyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-pentyl-2,3-dihydropyridine
PubChem CID70041347
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-pentyl-2,3-dihydropyridine
SMILESCCCCCC1=CC=NCC1
InChIInChI=1S/C10H17N/c1-2-3-4-5-10-6-8-11-9-7-10/h6,8H,2-5,7,9H2,1H3
InChIKeyRDOJYZCJVJXLBL-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-pentyl-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 4-pentyl-2,3-dihydropyridine?
The IUPAC name of 4-pentyl-2,3-dihydropyridine (CID 70041347) is 4-pentyl-2,3-dihydropyridine.
What is the SMILES notation for 4-pentyl-2,3-dihydropyridine?
The canonical SMILES for 4-pentyl-2,3-dihydropyridine is CCCCCC1=CC=NCC1.
What is the InChIKey of 4-pentyl-2,3-dihydropyridine?
The InChIKey is RDOJYZCJVJXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-4-5-10-6-8-11-9-7-10/h6,8H,2-5,7,9H2,1H3.
What are the key properties of 4-pentyl-2,3-dihydropyridine?
4-pentyl-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2,3-dihydropyridine is sourced from PubChem (CID 70041347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).