3-prop-2-enyl-2-pyridin-2-ylpyridine

C13H12N2 — CID 66633912

IUPAC3-prop-2-enyl-2-pyridin-2-ylpyridine
SMILESC=CCc1cccnc1-c1ccccn1
InChIInChI=1S/C13H12N2/c1-2-6-11-7-5-10-15-13(11)12-8-3-4-9-14-12/h2-5,7-10H,1,6H2
InChIKeyOHQLSHIOWZPZCN-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.87
Rot. Bonds3

About 3-prop-2-enyl-2-pyridin-2-ylpyridine

3-prop-2-enyl-2-pyridin-2-ylpyridine (PubChem CID 66633912) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-prop-2-enyl-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-prop-2-enyl-2-pyridin-2-ylpyridine
PubChem CID66633912
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-prop-2-enyl-2-pyridin-2-ylpyridine
SMILESC=CCc1cccnc1-c1ccccn1
InChIInChI=1S/C13H12N2/c1-2-6-11-7-5-10-15-13(11)12-8-3-4-9-14-12/h2-5,7-10H,1,6H2
InChIKeyOHQLSHIOWZPZCN-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-prop-2-enyl-2-pyridin-2-ylpyridine?
The IUPAC name of 3-prop-2-enyl-2-pyridin-2-ylpyridine (CID 66633912) is 3-prop-2-enyl-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-prop-2-enyl-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-prop-2-enyl-2-pyridin-2-ylpyridine is C=CCc1cccnc1-c1ccccn1.
What is the InChIKey of 3-prop-2-enyl-2-pyridin-2-ylpyridine?
The InChIKey is OHQLSHIOWZPZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-6-11-7-5-10-15-13(11)12-8-3-4-9-14-12/h2-5,7-10H,1,6H2.
What are the key properties of 3-prop-2-enyl-2-pyridin-2-ylpyridine?
3-prop-2-enyl-2-pyridin-2-ylpyridine has a molecular weight of 196.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2-pyridin-2-ylpyridine is sourced from PubChem (CID 66633912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).