2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine

C13H15N — CID 145044663

IUPAC2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCCC1=CCC(c2ccccn2)C=C1
InChIInChI=1S/C13H15N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h3-8,10,12H,2,9H2,1H3
InChIKeyJRYXAMRQXDLRTM-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.46
Rot. Bonds2

About 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine

2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine (PubChem CID 145044663) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine.

Molecular Properties

Compound Name2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine
PubChem CID145044663
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine
SMILESCCC1=CCC(c2ccccn2)C=C1
InChIInChI=1S/C13H15N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h3-8,10,12H,2,9H2,1H3
InChIKeyJRYXAMRQXDLRTM-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine?
The IUPAC name of 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine (CID 145044663) is 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine.
What is the SMILES notation for 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine?
The canonical SMILES for 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine is CCC1=CCC(c2ccccn2)C=C1.
What is the InChIKey of 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine?
The InChIKey is JRYXAMRQXDLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h3-8,10,12H,2,9H2,1H3.
What are the key properties of 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine?
2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine has a molecular weight of 185.27 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexa-2,4-dien-1-yl)pyridine is sourced from PubChem (CID 145044663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).