(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one

C16H15NO2 — CID 67850877

IUPAC(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one
SMILESCOc1ccccc1/C=C(/C(C)=O)c1ccccn1
InChIInChI=1S/C16H15NO2/c1-12(18)14(15-8-5-6-10-17-15)11-13-7-3-4-9-16(13)19-2/h3-11H,1-2H3/b14-11-
InChIKeyQXMWTERKUYFTCQ-KAMYIIQDSA-N
MW253.30 g/mol
LogP3.22
Rot. Bonds4

About (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one

(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one (PubChem CID 67850877) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one
PubChem CID67850877
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one
SMILESCOc1ccccc1/C=C(/C(C)=O)c1ccccn1
InChIInChI=1S/C16H15NO2/c1-12(18)14(15-8-5-6-10-17-15)11-13-7-3-4-9-16(13)19-2/h3-11H,1-2H3/b14-11-
InChIKeyQXMWTERKUYFTCQ-KAMYIIQDSA-N
XLogP3.22
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 ≤ 53.22
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

(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714365
trimethylsilyl (E)-2,3-bis(2-methoxyphenyl)prop-2-enoate
CID 10594452
methyl (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxobutanoate
CID 70489657
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
N-[(E)-1-(2-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 102363599
(Z)-4-(2-methoxyphenyl)-3-nitrobut-3-en-2-one
CID 75539548
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
3-(2-methoxyphenyl)-2-phenyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 72692928
3-[(E)-3-oxo-2-pyridin-2-ylbut-1-enyl]benzonitrile
CID 67851267
(Z)-2-(2-methoxyphenyl)-3-(2-pentoxyphenyl)prop-2-enoic acid
CID 83954614
5-[(2-methoxyphenyl)methylidene]-3-(pyridine-2-carbonyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5128605
[2-(2-methoxyphenyl)-1-trimethylsilylethenyl]-trimethylsilane
CID 102296582

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one?
The IUPAC name of (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one (CID 67850877) is (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one.
What is the SMILES notation for (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one?
The canonical SMILES for (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one is COc1ccccc1/C=C(/C(C)=O)c1ccccn1.
What is the InChIKey of (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one?
The InChIKey is QXMWTERKUYFTCQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12(18)14(15-8-5-6-10-17-15)11-13-7-3-4-9-16(13)19-2/h3-11H,1-2H3/b14-11-.
What are the key properties of (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one?
(E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyphenyl)-3-pyridin-2-ylbut-3-en-2-one is sourced from PubChem (CID 67850877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).