2-[2-(cyclohexen-1-yl)ethynyl]pyridine

C13H13N — CID 12811063

IUPAC2-[2-(cyclohexen-1-yl)ethynyl]pyridine
SMILESC(#Cc1ccccn1)C1=CCCCC1
InChIInChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2
InChIKeyZWQFPYQWWDBORG-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.93
Rot. Bonds

About 2-[2-(cyclohexen-1-yl)ethynyl]pyridine

2-[2-(cyclohexen-1-yl)ethynyl]pyridine (PubChem CID 12811063) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethynyl]pyridine
PubChem CID12811063
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-[2-(cyclohexen-1-yl)ethynyl]pyridine
SMILESC(#Cc1ccccn1)C1=CCCCC1
InChIInChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2
InChIKeyZWQFPYQWWDBORG-UHFFFAOYSA-N
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethynyl]pyridine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethynyl]pyridine (CID 12811063) is 2-[2-(cyclohexen-1-yl)ethynyl]pyridine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethynyl]pyridine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethynyl]pyridine is C(#Cc1ccccn1)C1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethynyl]pyridine?
The InChIKey is ZWQFPYQWWDBORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h4-6,8,11H,1-3,7H2.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethynyl]pyridine?
2-[2-(cyclohexen-1-yl)ethynyl]pyridine has a molecular weight of 183.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethynyl]pyridine is sourced from PubChem (CID 12811063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).