5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one

C16H15NO3 — CID 67622819

IUPAC5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one
SMILESCCOc1c[nH]c(/C=C/C(=O)c2ccccc2)cc1=O
InChIInChI=1S/C16H15NO3/c1-2-20-16-11-17-13(10-15(16)19)8-9-14(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,19)/b9-8+
InChIKeyXVWGBZMJSAWFFZ-CMDGGOBGSA-N
MW269.30 g/mol
LogP2.67
Rot. Bonds5

About 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one

5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one (PubChem CID 67622819) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one
PubChem CID67622819
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one
SMILESCCOc1c[nH]c(/C=C/C(=O)c2ccccc2)cc1=O
InChIInChI=1S/C16H15NO3/c1-2-20-16-11-17-13(10-15(16)19)8-9-14(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,19)/b9-8+
InChIKeyXVWGBZMJSAWFFZ-CMDGGOBGSA-N
XLogP2.67
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(2,3,4-triethoxyphenyl)prop-2-en-1-one
CID 70287765
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50884823
3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one
CID 2930717
2-[2-ethoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]-N,N-dimethylacetamide
CID 8832683
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
ethyl N-[2-oxo-5-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-yl]carbamate
CID 67092758
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1-phenylprop-2-en-1-one
CID 123800370
(E)-3-(3,5-diethoxy-2-methylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778408

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one?
The IUPAC name of 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one (CID 67622819) is 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one?
The canonical SMILES for 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one is CCOc1c[nH]c(/C=C/C(=O)c2ccccc2)cc1=O.
What is the InChIKey of 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one?
The InChIKey is XVWGBZMJSAWFFZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-16-11-17-13(10-15(16)19)8-9-14(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,19)/b9-8+.
What are the key properties of 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one?
5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one has a molecular weight of 269.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-1H-pyridin-4-one is sourced from PubChem (CID 67622819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).