3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine

C15H17N — CID 143222162

IUPAC3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine
SMILESCCCC1=CCC=C(c2cccnc2)C=C1
InChIInChI=1S/C15H17N/c1-2-5-13-6-3-7-14(10-9-13)15-8-4-11-16-12-15/h4,6-12H,2-3,5H2,1H3
InChIKeyIRMIBLNPVLOQHH-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.15
Rot. Bonds3

About 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine

3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine (PubChem CID 143222162) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine.

Molecular Properties

Compound Name3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine
PubChem CID143222162
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine
SMILESCCCC1=CCC=C(c2cccnc2)C=C1
InChIInChI=1S/C15H17N/c1-2-5-13-6-3-7-14(10-9-13)15-8-4-11-16-12-15/h4,6-12H,2-3,5H2,1H3
InChIKeyIRMIBLNPVLOQHH-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine 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-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine?
The IUPAC name of 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine (CID 143222162) is 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine.
What is the SMILES notation for 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine?
The canonical SMILES for 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine is CCCC1=CCC=C(c2cccnc2)C=C1.
What is the InChIKey of 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine?
The InChIKey is IRMIBLNPVLOQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-5-13-6-3-7-14(10-9-13)15-8-4-11-16-12-15/h4,6-12H,2-3,5H2,1H3.
What are the key properties of 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine?
3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine has a molecular weight of 211.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propylcyclohepta-1,4,6-trien-1-yl)pyridine is sourced from PubChem (CID 143222162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).