1-[(E)-3-phenylprop-2-enyl]pyridin-4-one

C14H13NO — CID 116622263

IUPAC1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
SMILESO=c1ccn(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H13NO/c16-14-8-11-15(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-9,11-12H,10H2/b7-4+
InChIKeyMLYKKQBBKYZMKC-QPJJXVBHSA-N
MW211.26 g/mol
LogP2.56
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one

1-[(E)-3-phenylprop-2-enyl]pyridin-4-one (PubChem CID 116622263) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
PubChem CID116622263
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
SMILESO=c1ccn(C/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H13NO/c16-14-8-11-15(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-9,11-12H,10H2/b7-4+
InChIKeyMLYKKQBBKYZMKC-QPJJXVBHSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine;hydrobromide
CID 6445350
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 175517737
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7975819
4-phenyl-1-(3-phenylprop-2-enyl)imidazole
CID 57289864
5-chloro-1-[(E)-3-phenylprop-2-enyl]pyridin-2-one
CID 901048
(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one
CID 164887957
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1,1-dioxo-2-[(E)-3-phenylprop-2-enyl]-1,2-benzothiazol-3-one
CID 8708940
5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one
CID 139246718
1-(3-phenylprop-2-enyl)-2,3-dihydroquinolin-4-one
CID 77033480

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one (CID 116622263) is 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one is O=c1ccn(C/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one?
The InChIKey is MLYKKQBBKYZMKC-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H13NO/c16-14-8-11-15(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-9,11-12H,10H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one?
1-[(E)-3-phenylprop-2-enyl]pyridin-4-one has a molecular weight of 211.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]pyridin-4-one is sourced from PubChem (CID 116622263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).