4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine

C17H17N — CID 167189739

IUPAC4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
SMILESC/C=C/c1ccc(C)cc1/C=C/c1ccncc1
InChIInChI=1S/C17H17N/c1-3-4-16-7-5-14(2)13-17(16)8-6-15-9-11-18-12-10-15/h3-13H,1-2H3/b4-3+,8-6+
InChIKeyJJYYOJKWCFFABO-PBOULFJWSA-N
MW235.33 g/mol
LogP4.59
Rot. Bonds3

About 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine

4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine (PubChem CID 167189739) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
PubChem CID167189739
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
SMILESC/C=C/c1ccc(C)cc1/C=C/c1ccncc1
InChIInChI=1S/C17H17N/c1-3-4-16-7-5-14(2)13-17(16)8-6-15-9-11-18-12-10-15/h3-13H,1-2H3/b4-3+,8-6+
InChIKeyJJYYOJKWCFFABO-PBOULFJWSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine (CID 167189739) is 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine is C/C=C/c1ccc(C)cc1/C=C/c1ccncc1.
What is the InChIKey of 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine?
The InChIKey is JJYYOJKWCFFABO-PBOULFJWSA-N. The full InChI is InChI=1S/C17H17N/c1-3-4-16-7-5-14(2)13-17(16)8-6-15-9-11-18-12-10-15/h3-13H,1-2H3/b4-3+,8-6+.
What are the key properties of 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine?
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine has a molecular weight of 235.33 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 167189739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).