4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine

C13H13N — CID 143584360

IUPAC4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine
SMILESCc1cc(C2=CCC=CC=C2)ccn1
InChIInChI=1S/C13H13N/c1-11-10-13(8-9-14-11)12-6-4-2-3-5-7-12/h2-4,6-10H,5H2,1H3
InChIKeyGIQKFIGZLHPOOC-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.29
Rot. Bonds1

About 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine

4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine (PubChem CID 143584360) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine.

Molecular Properties

Compound Name4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine
PubChem CID143584360
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine
SMILESCc1cc(C2=CCC=CC=C2)ccn1
InChIInChI=1S/C13H13N/c1-11-10-13(8-9-14-11)12-6-4-2-3-5-7-12/h2-4,6-10H,5H2,1H3
InChIKeyGIQKFIGZLHPOOC-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine 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-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine?
The IUPAC name of 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine (CID 143584360) is 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine.
What is the SMILES notation for 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine?
The canonical SMILES for 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine is Cc1cc(C2=CCC=CC=C2)ccn1.
What is the InChIKey of 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine?
The InChIKey is GIQKFIGZLHPOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-10-13(8-9-14-11)12-6-4-2-3-5-7-12/h2-4,6-10H,5H2,1H3.
What are the key properties of 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine?
4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine has a molecular weight of 183.25 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine is sourced from PubChem (CID 143584360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).