2-methyl-3,5-bis(prop-2-enyl)pyridine

C12H15N — CID 67653617

IUPAC2-methyl-3,5-bis(prop-2-enyl)pyridine
SMILESC=CCc1cnc(C)c(CC=C)c1
InChIInChI=1S/C12H15N/c1-4-6-11-8-12(7-5-2)10(3)13-9-11/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyFRZJXRTZGVXYPG-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.85
Rot. Bonds4

About 2-methyl-3,5-bis(prop-2-enyl)pyridine

2-methyl-3,5-bis(prop-2-enyl)pyridine (PubChem CID 67653617) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methyl-3,5-bis(prop-2-enyl)pyridine.

Molecular Properties

Compound Name2-methyl-3,5-bis(prop-2-enyl)pyridine
PubChem CID67653617
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-methyl-3,5-bis(prop-2-enyl)pyridine
SMILESC=CCc1cnc(C)c(CC=C)c1
InChIInChI=1S/C12H15N/c1-4-6-11-8-12(7-5-2)10(3)13-9-11/h4-5,8-9H,1-2,6-7H2,3H3
InChIKeyFRZJXRTZGVXYPG-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.85
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 2-methyl-3,5-bis(prop-2-enyl)pyridine?
The IUPAC name of 2-methyl-3,5-bis(prop-2-enyl)pyridine (CID 67653617) is 2-methyl-3,5-bis(prop-2-enyl)pyridine.
What is the SMILES notation for 2-methyl-3,5-bis(prop-2-enyl)pyridine?
The canonical SMILES for 2-methyl-3,5-bis(prop-2-enyl)pyridine is C=CCc1cnc(C)c(CC=C)c1.
What is the InChIKey of 2-methyl-3,5-bis(prop-2-enyl)pyridine?
The InChIKey is FRZJXRTZGVXYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-6-11-8-12(7-5-2)10(3)13-9-11/h4-5,8-9H,1-2,6-7H2,3H3.
What are the key properties of 2-methyl-3,5-bis(prop-2-enyl)pyridine?
2-methyl-3,5-bis(prop-2-enyl)pyridine has a molecular weight of 173.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5-bis(prop-2-enyl)pyridine is sourced from PubChem (CID 67653617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).