ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate

C16H15NO2 — CID 71746947

IUPACethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)15(14-6-4-3-5-7-14)12-13-8-10-17-11-9-13/h3-12H,2H2,1H3/b15-12+
InChIKeyBCTMQSGYIGEOBQ-NTCAYCPXSA-N
MW253.30 g/mol
LogP3.19
Rot. Bonds4

About ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate

ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate (PubChem CID 71746947) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
PubChem CID71746947
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Nameethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-2-19-16(18)15(14-6-4-3-5-7-14)12-13-8-10-17-11-9-13/h3-12H,2H2,1H3/b15-12+
InChIKeyBCTMQSGYIGEOBQ-NTCAYCPXSA-N
XLogP3.19
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 ≤ 53.19
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-amino-2-phenylprop-2-enoate
CID 168921248
ethyl (2E,4Z)-2,3-dimethyl-4,5-diphenylpenta-2,4-dienoate
CID 72736843
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
3,4-diphenylbut-2-enoic acid;ethyl 2,3-diphenylprop-2-enoate
CID 135221457
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
ethyl 2-phenylpent-2-enoate
CID 148550128
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
ethyl (E)-4-oxo-2-phenylbut-2-enoate
CID 122364112
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
CID 53446850
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956050

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate?
The IUPAC name of ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate (CID 71746947) is ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate is CCOC(=O)/C(=C/c1ccncc1)c1ccccc1.
What is the InChIKey of ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate?
The InChIKey is BCTMQSGYIGEOBQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-19-16(18)15(14-6-4-3-5-7-14)12-13-8-10-17-11-9-13/h3-12H,2H2,1H3/b15-12+.
What are the key properties of ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate?
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate has a molecular weight of 253.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate is sourced from PubChem (CID 71746947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).