ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate

C11H13NO2S — CID 10911170

IUPACethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate
SMILESCCOC(=O)/C=C1\NCCc2ccsc21
InChIInChI=1S/C11H13NO2S/c1-2-14-10(13)7-9-11-8(3-5-12-9)4-6-15-11/h4,6-7,12H,2-3,5H2,1H3/b9-7-
InChIKeyNESHQPDOTMGREO-CLFYSBASSA-N
MW223.30 g/mol
LogP1.80
Rot. Bonds2

About ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate

ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate (PubChem CID 10911170) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate
PubChem CID10911170
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Nameethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate
SMILESCCOC(=O)/C=C1\NCCc2ccsc21
InChIInChI=1S/C11H13NO2S/c1-2-14-10(13)7-9-11-8(3-5-12-9)4-6-15-11/h4,6-7,12H,2-3,5H2,1H3/b9-7-
InChIKeyNESHQPDOTMGREO-CLFYSBASSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate (CID 10911170) is ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate is CCOC(=O)/C=C1\NCCc2ccsc21.
What is the InChIKey of ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate?
The InChIKey is NESHQPDOTMGREO-CLFYSBASSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-2-14-10(13)7-9-11-8(3-5-12-9)4-6-15-11/h4,6-7,12H,2-3,5H2,1H3/b9-7-.
What are the key properties of ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate?
ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate has a molecular weight of 223.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(5,6-dihydro-4H-thieno[2,3-c]pyridin-7-ylidene)acetate is sourced from PubChem (CID 10911170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).