2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine

C13H15N — CID 18541294

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
SMILESC1=CC2CC1CC2Cc1ccccn1
InChIInChI=1S/C13H15N/c1-2-6-14-13(3-1)9-12-8-10-4-5-11(12)7-10/h1-6,10-12H,7-9H2
InChIKeyQEMGXWKATRVTFC-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine

2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine (PubChem CID 18541294) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
PubChem CID18541294
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
SMILESC1=CC2CC1CC2Cc1ccccn1
InChIInChI=1S/C13H15N/c1-2-6-14-13(3-1)9-12-8-10-4-5-11(12)7-10/h1-6,10-12H,7-9H2
InChIKeyQEMGXWKATRVTFC-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 18389761
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 42701063
pyridin-2-ylmethyl (1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101246147
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
(1S,4R,5R)-5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 100999801
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)quinolin-5-amine
CID 43759306
4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol
CID 79421992
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
CID 21426212
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273377
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]pyrimidine
CID 11587119
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 89235530
2-(cyclohexylmethyl)pyridine
CID 14762660

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine (CID 18541294) is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine is C1=CC2CC1CC2Cc1ccccn1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine?
The InChIKey is QEMGXWKATRVTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-6-14-13(3-1)9-12-8-10-4-5-11(12)7-10/h1-6,10-12H,7-9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine?
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine has a molecular weight of 185.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine is sourced from PubChem (CID 18541294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).