[(E)-2-pyridin-4-ylethenyl] benzoate

C14H11NO2 — CID 22438748

IUPAC[(E)-2-pyridin-4-ylethenyl] benzoate
SMILESO=C(O/C=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(13-4-2-1-3-5-13)17-11-8-12-6-9-15-10-7-12/h1-11H/b11-8+
InChIKeyRTXXLLACDXMPLQ-DHZHZOJOSA-N
MW225.25 g/mol
LogP2.91
Rot. Bonds3

About [(E)-2-pyridin-4-ylethenyl] benzoate

[(E)-2-pyridin-4-ylethenyl] benzoate (PubChem CID 22438748) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [(E)-2-pyridin-4-ylethenyl] benzoate.

Molecular Properties

Compound Name[(E)-2-pyridin-4-ylethenyl] benzoate
PubChem CID22438748
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name[(E)-2-pyridin-4-ylethenyl] benzoate
SMILESO=C(O/C=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(13-4-2-1-3-5-13)17-11-8-12-6-9-15-10-7-12/h1-11H/b11-8+
InChIKeyRTXXLLACDXMPLQ-DHZHZOJOSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
dizinc;bis(4-[(E)-2-phenylethenyl]pyridine);tetrabenzoate
CID 139048284
[(Z)-prop-1-enyl] benzoate
CID 11412549
3-chloroprop-1-enyl benzoate
CID 54428210
2-methoxyethenyl benzoate
CID 68559568
4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]pyridine
CID 102493364
formyl pyridine-4-carboxylate
CID 54232174
[(1Z,3Z)-4-methoxybuta-1,3-dienyl] benzoate
CID 102600427
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
(2E,4E)-5-benzoyloxypenta-2,4-dienoic acid
CID 12840355
4-benzoyloxybuta-1,3-diynyl pyridine-4-carboxylate
CID 20695320
2-(dimethylamino)ethenyl benzoate
CID 129240489

Frequently Asked Questions

What is the IUPAC name of [(E)-2-pyridin-4-ylethenyl] benzoate?
The IUPAC name of [(E)-2-pyridin-4-ylethenyl] benzoate (CID 22438748) is [(E)-2-pyridin-4-ylethenyl] benzoate.
What is the SMILES notation for [(E)-2-pyridin-4-ylethenyl] benzoate?
The canonical SMILES for [(E)-2-pyridin-4-ylethenyl] benzoate is O=C(O/C=C/c1ccncc1)c1ccccc1.
What is the InChIKey of [(E)-2-pyridin-4-ylethenyl] benzoate?
The InChIKey is RTXXLLACDXMPLQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(13-4-2-1-3-5-13)17-11-8-12-6-9-15-10-7-12/h1-11H/b11-8+.
What are the key properties of [(E)-2-pyridin-4-ylethenyl] benzoate?
[(E)-2-pyridin-4-ylethenyl] benzoate has a molecular weight of 225.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-pyridin-4-ylethenyl] benzoate is sourced from PubChem (CID 22438748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).