2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine

C16H15N — CID 87146074

IUPAC2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine
SMILESCC(/C=C/c1ccccn1)=C\c1ccccc1
InChIInChI=1S/C16H15N/c1-14(13-15-7-3-2-4-8-15)10-11-16-9-5-6-12-17-16/h2-13H,1H3/b11-10+,14-13+
InChIKeyRMASBOUVGBFFEJ-IWCZYTNJSA-N
MW221.30 g/mol
LogP4.20
Rot. Bonds3

About 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine

2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine (PubChem CID 87146074) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine
PubChem CID87146074
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine
SMILESCC(/C=C/c1ccccn1)=C\c1ccccc1
InChIInChI=1S/C16H15N/c1-14(13-15-7-3-2-4-8-15)10-11-16-9-5-6-12-17-16/h2-13H,1H3/b11-10+,14-13+
InChIKeyRMASBOUVGBFFEJ-IWCZYTNJSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654558
1,2-bis[(1E,3Z)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654891
2-[(E)-2-(3-methylphenyl)ethenyl]pyridine
CID 5463079
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
trimethyl-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]silane
CID 10560699
2-(2-phenylethenyl)pyridine;pyridine
CID 174553806
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
2-(2-phenylethenyl)pyridine isocyanate
CID 86740696
1-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]-4-methylsulfanylbenzene
CID 59296819
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine?
The IUPAC name of 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine (CID 87146074) is 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine.
What is the SMILES notation for 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine?
The canonical SMILES for 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine is CC(/C=C/c1ccccn1)=C\c1ccccc1.
What is the InChIKey of 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine?
The InChIKey is RMASBOUVGBFFEJ-IWCZYTNJSA-N. The full InChI is InChI=1S/C16H15N/c1-14(13-15-7-3-2-4-8-15)10-11-16-9-5-6-12-17-16/h2-13H,1H3/b11-10+,14-13+.
What are the key properties of 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine?
2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine has a molecular weight of 221.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]pyridine is sourced from PubChem (CID 87146074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).