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

C12H9NOS — CID 11535860

IUPAC(E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)c1ccccn1
InChIInChI=1S/C12H9NOS/c14-12(11-3-1-2-7-13-11)5-4-10-6-8-15-9-10/h1-9H/b5-4+
InChIKeyOBDXONRGTPWTRO-SNAWJCMRSA-N
MW215.28 g/mol
LogP3.04
Rot. Bonds3

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

(E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 11535860) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one
PubChem CID11535860
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name(E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)c1ccccn1
InChIInChI=1S/C12H9NOS/c14-12(11-3-1-2-7-13-11)5-4-10-6-8-15-9-10/h1-9H/b5-4+
InChIKeyOBDXONRGTPWTRO-SNAWJCMRSA-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

N-[(E)-2-pyridylmethyleneamino]thiophene-2-carboxamide
CID 9593589
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
Oxisuran
CID 33770
N-hydroxy-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 10242569
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 2565676
4-Dimethylamino-1-(2-oxo-2-thiophen-2-yl-ethyl)-pyridinium
CID 24746845
5-methyl-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237461
N'-[(E)-1-(3-pyridinyl)ethylidene]-2-thiophenecarbohydrazide
CID 5395062
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6878933
Pyridine-2-carboxylic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793915
N-(3-cyanothiophen-2-yl)picolinamide
CID 2525612

Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one (CID 11535860) is (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one is O=C(/C=C/c1ccsc1)c1ccccn1.
What is the InChIKey of (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one?
The InChIKey is OBDXONRGTPWTRO-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H9NOS/c14-12(11-3-1-2-7-13-11)5-4-10-6-8-15-9-10/h1-9H/b5-4+.
What are the key properties of (E)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one?
(E)-1-pyridin-2-yl-3-thiophen-3-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)-1-pyridin-2-yl-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 11535860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).