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

C12H9NOS — CID 10104719

IUPAC(E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1cccs1
InChIInChI=1S/C12H9NOS/c14-11(12-2-1-9-15-12)4-3-10-5-7-13-8-6-10/h1-9H/b4-3+
InChIKeyISLCBTXLQDSFPT-ONEGZZNKSA-N
MW215.28 g/mol
LogP3.04
Rot. Bonds3

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

(E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 10104719) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one
PubChem CID10104719
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name(E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1cccs1
InChIInChI=1S/C12H9NOS/c14-11(12-2-1-9-15-12)4-3-10-5-7-13-8-6-10/h1-9H/b4-3+
InChIKeyISLCBTXLQDSFPT-ONEGZZNKSA-N
XLogP3.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.04
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

Hydrazine, 1-isonicotinoyl-2-(2-thenoyl)-
CID 777977
Thieno(2,3-c)pyridine-2-carbaldehyde
CID 10749527
3-(3-Thienyl)pyridine
CID 595254
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
3-(2-Thienyl)pyridine
CID 595145
N-(4-Pyridinyl)-2-thiophenecarboxamide
CID 676266
N-[(5Z)-4-oxo-5-(thien-2-ylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]isonicotinamide
CID 1524005
N'-[(5-methyl-2-thienyl)methylene]isonicotinohydrazide
CID 5469564
N'-[(E)-2-thienylmethylidene]nicotinohydrazide
CID 6876295
Isonicotinic acid, 2-thenylidenehydrazide
CID 5469562
N-hydroxy-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 44418106
N-hydroxy-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 44418125

Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one (CID 10104719) is (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccncc1)c1cccs1.
What is the InChIKey of (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is ISLCBTXLQDSFPT-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H9NOS/c14-11(12-2-1-9-15-12)4-3-10-5-7-13-8-6-10/h1-9H/b4-3+.
What are the key properties of (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 215.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-4-yl-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 10104719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).