1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone

C12H11NOS — CID 54513861

IUPAC1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone
SMILESCC(=O)N1CCc2cc3ccsc3cc21
InChIInChI=1S/C12H11NOS/c1-8(14)13-4-2-9-6-10-3-5-15-12(10)7-11(9)13/h3,5-7H,2,4H2,1H3
InChIKeyYLALIJWGRSFKPX-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.81
Rot. Bonds

About 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone

1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone (PubChem CID 54513861) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone
PubChem CID54513861
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone
SMILESCC(=O)N1CCc2cc3ccsc3cc21
InChIInChI=1S/C12H11NOS/c1-8(14)13-4-2-9-6-10-3-5-15-12(10)7-11(9)13/h3,5-7H,2,4H2,1H3
InChIKeyYLALIJWGRSFKPX-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
CID 132598085
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
CID 145441295
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone?
The IUPAC name of 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone (CID 54513861) is 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone.
What is the SMILES notation for 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone?
The canonical SMILES for 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone is CC(=O)N1CCc2cc3ccsc3cc21.
What is the InChIKey of 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone?
The InChIKey is YLALIJWGRSFKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8(14)13-4-2-9-6-10-3-5-15-12(10)7-11(9)13/h3,5-7H,2,4H2,1H3.
What are the key properties of 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone?
1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone has a molecular weight of 217.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydrothieno[3,2-f]indol-7-yl)ethanone is sourced from PubChem (CID 54513861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).