5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one

C11H11NOS — CID 116626889

IUPAC5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
SMILESC/C=C/Cn1ccc2sccc2c1=O
InChIInChI=1S/C11H11NOS/c1-2-3-6-12-7-4-10-9(11(12)13)5-8-14-10/h2-5,7-8H,6H2,1H3/b3-2+
InChIKeyMUROUKLIHODQSS-NSCUHMNNSA-N
MW205.28 g/mol
LogP2.64
Rot. Bonds2

About 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one

5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one (PubChem CID 116626889) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
PubChem CID116626889
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
SMILESC/C=C/Cn1ccc2sccc2c1=O
InChIInChI=1S/C11H11NOS/c1-2-3-6-12-7-4-10-9(11(12)13)5-8-14-10/h2-5,7-8H,6H2,1H3/b3-2+
InChIKeyMUROUKLIHODQSS-NSCUHMNNSA-N
XLogP2.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-but-2-ynylthieno[3,2-c]pyridin-4-one
CID 115886548
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985821
5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
CID 106731694
5-[2-(bromomethyl)-3,3-dimethylbutyl]thieno[3,2-c]pyridin-4-one
CID 112557005
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
5-[(4-bromophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 113347683

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one (CID 116626889) is 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one is C/C=C/Cn1ccc2sccc2c1=O.
What is the InChIKey of 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is MUROUKLIHODQSS-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-3-6-12-7-4-10-9(11(12)13)5-8-14-10/h2-5,7-8H,6H2,1H3/b3-2+.
What are the key properties of 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one?
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 205.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 116626889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).