ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate

C16H15NO2 — CID 54507534

IUPACethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)C=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14/h3-12H,2H2,1H3
InChIKeyYGTYLGUTSIEULI-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.08
Rot. Bonds4

About ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate

ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate (PubChem CID 54507534) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
PubChem CID54507534
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Nameethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)C=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14/h3-12H,2H2,1H3
InChIKeyYGTYLGUTSIEULI-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
CID 54710377
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl (Z)-3-pyridin-4-ylbut-2-enoate
CID 69315754
ethyl (E)-3-(2-hydroxyphenyl)-3-phenylprop-2-enoate
CID 132574496
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl 3,3-bis[4-(2-phenylethynyl)phenyl]prop-2-enoate
CID 19261667
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl (Z)-3-(2,5-dimethylfuran-3-yl)-3-phenylprop-2-enoate
CID 102479878
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
CID 101412880

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate?
The IUPAC name of ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate (CID 54507534) is ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate?
The canonical SMILES for ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate is CCOC(=O)C=C(c1ccccc1)c1ccncc1.
What is the InChIKey of ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate?
The InChIKey is YGTYLGUTSIEULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-19-16(18)12-15(13-6-4-3-5-7-13)14-8-10-17-11-9-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate?
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate has a molecular weight of 253.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate is sourced from PubChem (CID 54507534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).