3-methyl-4-(2-prop-2-enylphenyl)pyridine

C15H15N — CID 66828057

IUPAC3-methyl-4-(2-prop-2-enylphenyl)pyridine
SMILESC=CCc1ccccc1-c1ccncc1C
InChIInChI=1S/C15H15N/c1-3-6-13-7-4-5-8-15(13)14-9-10-16-11-12(14)2/h3-5,7-11H,1,6H2,2H3
InChIKeySBKACQALJVHHHI-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.79
Rot. Bonds3

About 3-methyl-4-(2-prop-2-enylphenyl)pyridine

3-methyl-4-(2-prop-2-enylphenyl)pyridine (PubChem CID 66828057) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-4-(2-prop-2-enylphenyl)pyridine.

Molecular Properties

Compound Name3-methyl-4-(2-prop-2-enylphenyl)pyridine
PubChem CID66828057
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name3-methyl-4-(2-prop-2-enylphenyl)pyridine
SMILESC=CCc1ccccc1-c1ccncc1C
InChIInChI=1S/C15H15N/c1-3-6-13-7-4-5-8-15(13)14-9-10-16-11-12(14)2/h3-5,7-11H,1,6H2,2H3
InChIKeySBKACQALJVHHHI-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.79
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 3-methyl-4-(2-prop-2-enylphenyl)pyridine?
The IUPAC name of 3-methyl-4-(2-prop-2-enylphenyl)pyridine (CID 66828057) is 3-methyl-4-(2-prop-2-enylphenyl)pyridine.
What is the SMILES notation for 3-methyl-4-(2-prop-2-enylphenyl)pyridine?
The canonical SMILES for 3-methyl-4-(2-prop-2-enylphenyl)pyridine is C=CCc1ccccc1-c1ccncc1C.
What is the InChIKey of 3-methyl-4-(2-prop-2-enylphenyl)pyridine?
The InChIKey is SBKACQALJVHHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-3-6-13-7-4-5-8-15(13)14-9-10-16-11-12(14)2/h3-5,7-11H,1,6H2,2H3.
What are the key properties of 3-methyl-4-(2-prop-2-enylphenyl)pyridine?
3-methyl-4-(2-prop-2-enylphenyl)pyridine has a molecular weight of 209.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-prop-2-enylphenyl)pyridine is sourced from PubChem (CID 66828057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).