(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one

C14H11NO — CID 5357476

IUPAC(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C14H11NO/c16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12/h1-11H/b7-6+
InChIKeyMSXXXMPYLQXAKL-VOTSOKGWSA-N
MW209.25 g/mol
LogP2.98
Rot. Bonds3

About (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one

(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one (PubChem CID 5357476) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
PubChem CID5357476
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccccc1
InChIInChI=1S/C14H11NO/c16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12/h1-11H/b7-6+
InChIKeyMSXXXMPYLQXAKL-VOTSOKGWSA-N
XLogP2.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
bis((E)-1,3-diphenylprop-2-en-1-one);sulfane;2H-triazole
CID 174956941
(E)-1-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 11777637
(E)-1-(1-oxidopyridin-1-ium-4-yl)-3-pyridin-4-ylprop-2-en-1-one
CID 6261046
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
1-(4-ethylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 3307819
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one (CID 5357476) is (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccncc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one?
The InChIKey is MSXXXMPYLQXAKL-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11NO/c16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12/h1-11H/b7-6+.
What are the key properties of (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one?
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one has a molecular weight of 209.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 5357476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).