1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone

C15H18N2O — CID 170568826

IUPAC1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone
SMILESC=C/C=C(\C=C)CN(C)c1ccc(C(C)=O)cn1
InChIInChI=1S/C15H18N2O/c1-5-7-13(6-2)11-17(4)15-9-8-14(10-16-15)12(3)18/h5-10H,1-2,11H2,3-4H3/b13-7+
InChIKeyFCLDILZCCJGEHW-NTUHNPAUSA-N
MW242.32 g/mol
LogP3.02
Rot. Bonds6

About 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone

1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone (PubChem CID 170568826) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone
PubChem CID170568826
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone
SMILESC=C/C=C(\C=C)CN(C)c1ccc(C(C)=O)cn1
InChIInChI=1S/C15H18N2O/c1-5-7-13(6-2)11-17(4)15-9-8-14(10-16-15)12(3)18/h5-10H,1-2,11H2,3-4H3/b13-7+
InChIKeyFCLDILZCCJGEHW-NTUHNPAUSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone (CID 170568826) is 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone is C=C/C=C(\C=C)CN(C)c1ccc(C(C)=O)cn1.
What is the InChIKey of 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone?
The InChIKey is FCLDILZCCJGEHW-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-7-13(6-2)11-17(4)15-9-8-14(10-16-15)12(3)18/h5-10H,1-2,11H2,3-4H3/b13-7+.
What are the key properties of 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone?
1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone is sourced from PubChem (CID 170568826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).