1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc

C10H10NO3SZn- — CID 145441295

IUPAC1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
SMILESCC(=O)N1CCc2cc([S-](=O)=O)ccc21.[Zn]
InChIInChI=1S/C10H10NO3S.Zn/c1-7(12)11-5-4-8-6-9(15(13)14)2-3-10(8)11;/h2-3,6H,4-5H2,1H3;/q-1;
InChIKeyJQSTUPSNBJCBDN-UHFFFAOYSA-N
MW289.65 g/mol
LogP1.26
Rot. Bonds1

About 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc

1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc (PubChem CID 145441295) has the molecular formula C10H10NO3SZn- and a molecular weight of 289.65 g/mol. Its IUPAC name is 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc.

Molecular Properties

Compound Name1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
PubChem CID145441295
Molecular FormulaC10H10NO3SZn-
Molecular Weight289.65 g/mol
Exact Mass287.97
IUPAC Name1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
SMILESCC(=O)N1CCc2cc([S-](=O)=O)ccc21.[Zn]
InChIInChI=1S/C10H10NO3S.Zn/c1-7(12)11-5-4-8-6-9(15(13)14)2-3-10(8)11;/h2-3,6H,4-5H2,1H3;/q-1;
InChIKeyJQSTUPSNBJCBDN-UHFFFAOYSA-N
XLogP1.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.65
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
sodium 1-acetyl-2,3-dihydroindole-5-sulfinate
CID 114287127
1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfanyl]acetonitrile
CID 117033962
1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid
CID 82537981
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939

Frequently Asked Questions

What is the IUPAC name of 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc?
The IUPAC name of 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc (CID 145441295) is 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc.
What is the SMILES notation for 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc?
The canonical SMILES for 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc is CC(=O)N1CCc2cc([S-](=O)=O)ccc21.[Zn].
What is the InChIKey of 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc?
The InChIKey is JQSTUPSNBJCBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10NO3S.Zn/c1-7(12)11-5-4-8-6-9(15(13)14)2-3-10(8)11;/h2-3,6H,4-5H2,1H3;/q-1;.
What are the key properties of 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc?
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc has a molecular weight of 289.65 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc is sourced from PubChem (CID 145441295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).