3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one

C12H9NOS — CID 54527231

IUPAC3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)c1cccs1
InChIInChI=1S/C12H9NOS/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-9H
InChIKeyYTZIZXFPDCKLDV-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.04
Rot. Bonds3

About 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one

3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 54527231) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one
PubChem CID54527231
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccn1)c1cccs1
InChIInChI=1S/C12H9NOS/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-9H
InChIKeyYTZIZXFPDCKLDV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one (CID 54527231) is 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1ccccn1)c1cccs1.
What is the InChIKey of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is YTZIZXFPDCKLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-11(12-5-3-9-15-12)7-6-10-4-1-2-8-13-10/h1-9H.
What are the key properties of 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
3-pyridin-2-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 3-pyridin-2-yl-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 54527231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).