4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine

C13H15N — CID 90843616

IUPAC4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine
SMILESCC1=CC2CC1CC2c1ccncc1
InChIInChI=1S/C13H15N/c1-9-6-12-7-11(9)8-13(12)10-2-4-14-5-3-10/h2-6,11-13H,7-8H2,1H3
InChIKeyDYJDKLWLJIUGOW-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.15
Rot. Bonds1

About 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine

4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine (PubChem CID 90843616) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine.

Molecular Properties

Compound Name4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine
PubChem CID90843616
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine
SMILESCC1=CC2CC1CC2c1ccncc1
InChIInChI=1S/C13H15N/c1-9-6-12-7-11(9)8-13(12)10-2-4-14-5-3-10/h2-6,11-13H,7-8H2,1H3
InChIKeyDYJDKLWLJIUGOW-UHFFFAOYSA-N
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine?
The IUPAC name of 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine (CID 90843616) is 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine.
What is the SMILES notation for 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine?
The canonical SMILES for 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine is CC1=CC2CC1CC2c1ccncc1.
What is the InChIKey of 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine?
The InChIKey is DYJDKLWLJIUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9-6-12-7-11(9)8-13(12)10-2-4-14-5-3-10/h2-6,11-13H,7-8H2,1H3.
What are the key properties of 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine?
4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine has a molecular weight of 185.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)pyridine is sourced from PubChem (CID 90843616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).