2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C14H17NOS — CID 42932834

IUPAC2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CC1C=CCC1)N1CCc2sccc2C1
InChIInChI=1S/C14H17NOS/c16-14(9-11-3-1-2-4-11)15-7-5-13-12(10-15)6-8-17-13/h1,3,6,8,11H,2,4-5,7,9-10H2
InChIKeyWQCSVIXNJMJPMA-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.99
Rot. Bonds2

About 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 42932834) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID42932834
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CC1C=CCC1)N1CCc2sccc2C1
InChIInChI=1S/C14H17NOS/c16-14(9-11-3-1-2-4-11)15-7-5-13-12(10-15)6-8-17-13/h1,3,6,8,11H,2,4-5,7,9-10H2
InChIKeyWQCSVIXNJMJPMA-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

2-(cyclohexylamino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388465
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 46448338
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 61469938
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione;hydrochloride
CID 119623873
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 42932834) is 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is O=C(CC1C=CCC1)N1CCc2sccc2C1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is WQCSVIXNJMJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-14(9-11-3-1-2-4-11)15-7-5-13-12(10-15)6-8-17-13/h1,3,6,8,11H,2,4-5,7,9-10H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 247.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 42932834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).