4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine

C14H19N — CID 71090950

IUPAC4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine
SMILESCC1C=CC(C=CC2=CCNCC2)=CC1
InChIInChI=1S/C14H19N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2,4-8,12,15H,3,9-11H2,1H3
InChIKeyRNUVMOFOMMZMTK-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.98
Rot. Bonds2

About 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine

4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 71090950) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine
PubChem CID71090950
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine
SMILESCC1C=CC(C=CC2=CCNCC2)=CC1
InChIInChI=1S/C14H19N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2,4-8,12,15H,3,9-11H2,1H3
InChIKeyRNUVMOFOMMZMTK-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine (CID 71090950) is 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine is CC1C=CC(C=CC2=CCNCC2)=CC1.
What is the InChIKey of 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is RNUVMOFOMMZMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-12-2-4-13(5-3-12)6-7-14-8-10-15-11-9-14/h2,4-8,12,15H,3,9-11H2,1H3.
What are the key properties of 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine?
4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 201.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 71090950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).