4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine

C15H19N — CID 154682868

IUPAC4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine
SMILESC=CC12CCC(c3ccnc(C)c3)(CC1)C2
InChIInChI=1S/C15H19N/c1-3-14-5-7-15(11-14,8-6-14)13-4-9-16-12(2)10-13/h3-4,9-10H,1,5-8,11H2,2H3
InChIKeyNRKLQZKWQBZVPR-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.78
Rot. Bonds2

About 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine

4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine (PubChem CID 154682868) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine.

Molecular Properties

Compound Name4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine
PubChem CID154682868
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine
SMILESC=CC12CCC(c3ccnc(C)c3)(CC1)C2
InChIInChI=1S/C15H19N/c1-3-14-5-7-15(11-14,8-6-14)13-4-9-16-12(2)10-13/h3-4,9-10H,1,5-8,11H2,2H3
InChIKeyNRKLQZKWQBZVPR-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.78
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-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine?
The IUPAC name of 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine (CID 154682868) is 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine.
What is the SMILES notation for 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine?
The canonical SMILES for 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine is C=CC12CCC(c3ccnc(C)c3)(CC1)C2.
What is the InChIKey of 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine?
The InChIKey is NRKLQZKWQBZVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-14-5-7-15(11-14,8-6-14)13-4-9-16-12(2)10-13/h3-4,9-10H,1,5-8,11H2,2H3.
What are the key properties of 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine?
4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine has a molecular weight of 213.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenyl-1-bicyclo[2.2.1]heptanyl)-2-methylpyridine is sourced from PubChem (CID 154682868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).