3-thiophen-3-yl-2,3-dihydroisoindol-1-one

C12H9NOS — CID 173410155

IUPAC3-thiophen-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(c2ccsc2)c2ccccc21
InChIInChI=1S/C12H9NOS/c14-12-10-4-2-1-3-9(10)11(13-12)8-5-6-15-7-8/h1-7,11H,(H,13,14)
InChIKeyAVHKFXQYHWQGRU-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.58
Rot. Bonds1

About 3-thiophen-3-yl-2,3-dihydroisoindol-1-one

3-thiophen-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 173410155) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-thiophen-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-thiophen-3-yl-2,3-dihydroisoindol-1-one
PubChem CID173410155
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name3-thiophen-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NC(c2ccsc2)c2ccccc21
InChIInChI=1S/C12H9NOS/c14-12-10-4-2-1-3-9(10)11(13-12)8-5-6-15-7-8/h1-7,11H,(H,13,14)
InChIKeyAVHKFXQYHWQGRU-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 82274917
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
2-sulfanylidene-5-thiophen-3-ylimidazolidin-4-one
CID 82997071
(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one
CID 143781226
3-cyclopentyl-2,3-dihydroisoindol-1-one
CID 84733844
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
CID 153205873
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
CID 53348652
3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
CID 171099763
(2R)-2-thiophen-3-ylaziridine
CID 172991225

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-thiophen-3-yl-2,3-dihydroisoindol-1-one (CID 173410155) is 3-thiophen-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-thiophen-3-yl-2,3-dihydroisoindol-1-one is O=C1NC(c2ccsc2)c2ccccc21.
What is the InChIKey of 3-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is AVHKFXQYHWQGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-12-10-4-2-1-3-9(10)11(13-12)8-5-6-15-7-8/h1-7,11H,(H,13,14).
What are the key properties of 3-thiophen-3-yl-2,3-dihydroisoindol-1-one?
3-thiophen-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 215.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 173410155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).