1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine

C16H19N — CID 134316346

IUPAC1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine
SMILESC=C1C=CC=C(C)N1/C=C(\C)C1=CC=CCC1
InChIInChI=1S/C16H19N/c1-13(16-10-5-4-6-11-16)12-17-14(2)8-7-9-15(17)3/h4-5,7-10,12H,2,6,11H2,1,3H3/b13-12+
InChIKeyRRMDOMVEPHGNFZ-OUKQBFOZSA-N
MW225.33 g/mol
LogP4.46
Rot. Bonds2

About 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine

1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine (PubChem CID 134316346) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine.

Molecular Properties

Compound Name1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine
PubChem CID134316346
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine
SMILESC=C1C=CC=C(C)N1/C=C(\C)C1=CC=CCC1
InChIInChI=1S/C16H19N/c1-13(16-10-5-4-6-11-16)12-17-14(2)8-7-9-15(17)3/h4-5,7-10,12H,2,6,11H2,1,3H3/b13-12+
InChIKeyRRMDOMVEPHGNFZ-OUKQBFOZSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine?
The IUPAC name of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine (CID 134316346) is 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine.
What is the SMILES notation for 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine?
The canonical SMILES for 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine is C=C1C=CC=C(C)N1/C=C(\C)C1=CC=CCC1.
What is the InChIKey of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine?
The InChIKey is RRMDOMVEPHGNFZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H19N/c1-13(16-10-5-4-6-11-16)12-17-14(2)8-7-9-15(17)3/h4-5,7-10,12H,2,6,11H2,1,3H3/b13-12+.
What are the key properties of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine?
1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine has a molecular weight of 225.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-6-methylidenepyridine is sourced from PubChem (CID 134316346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).