pyridin-2-yl (E)-3-phenylprop-2-enoate

C14H11NO2 — CID 10537171

IUPACpyridin-2-yl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccccn1
InChIInChI=1S/C14H11NO2/c16-14(17-13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H/b10-9+
InChIKeyTYMVFYBHJZQHFR-MDZDMXLPSA-N
MW225.25 g/mol
LogP2.70
Rot. Bonds3

About pyridin-2-yl (E)-3-phenylprop-2-enoate

pyridin-2-yl (E)-3-phenylprop-2-enoate (PubChem CID 10537171) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is pyridin-2-yl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namepyridin-2-yl (E)-3-phenylprop-2-enoate
PubChem CID10537171
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Namepyridin-2-yl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccccn1
InChIInChI=1S/C14H11NO2/c16-14(17-13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H/b10-9+
InChIKeyTYMVFYBHJZQHFR-MDZDMXLPSA-N
XLogP2.70
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 ≤ 52.70
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

[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
[3-methyl-2-(pyridine-2-carbonyl)phenyl] 3-phenylprop-2-enoate
CID 175512551
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832
amino 3-phenylprop-2-enoate
CID 67189797
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl (E)-3-phenylprop-2-enoate?
The IUPAC name of pyridin-2-yl (E)-3-phenylprop-2-enoate (CID 10537171) is pyridin-2-yl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for pyridin-2-yl (E)-3-phenylprop-2-enoate?
The canonical SMILES for pyridin-2-yl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)Oc1ccccn1.
What is the InChIKey of pyridin-2-yl (E)-3-phenylprop-2-enoate?
The InChIKey is TYMVFYBHJZQHFR-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17-13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-11H/b10-9+.
What are the key properties of pyridin-2-yl (E)-3-phenylprop-2-enoate?
pyridin-2-yl (E)-3-phenylprop-2-enoate has a molecular weight of 225.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 10537171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).