1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone

C14H19NO2 — CID 14939601

IUPAC1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/OCCN(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-12(16)14-6-4-13(5-7-14)8-10-17-11-9-15(2)3/h4-8,10H,9,11H2,1-3H3/b10-8+
InChIKeyUSNRXVKTBPULIZ-CSKARUKUSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds6

About 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone

1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone (PubChem CID 14939601) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone
PubChem CID14939601
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/C=C/OCCN(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-12(16)14-6-4-13(5-7-14)8-10-17-11-9-15(2)3/h4-8,10H,9,11H2,1-3H3/b10-8+
InChIKeyUSNRXVKTBPULIZ-CSKARUKUSA-N
XLogP2.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone (CID 14939601) is 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone is CC(=O)c1ccc(/C=C/OCCN(C)C)cc1.
What is the InChIKey of 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone?
The InChIKey is USNRXVKTBPULIZ-CSKARUKUSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(16)14-6-4-13(5-7-14)8-10-17-11-9-15(2)3/h4-8,10H,9,11H2,1-3H3/b10-8+.
What are the key properties of 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone?
1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone is sourced from PubChem (CID 14939601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).