2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one

C14H13NOS — CID 90042577

IUPAC2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one
SMILESCC1c2cc(-c3cccs3)ccc2C(=O)N1C
InChIInChI=1S/C14H13NOS/c1-9-12-8-10(13-4-3-7-17-13)5-6-11(12)14(16)15(9)2/h3-9H,1-2H3
InChIKeyGTTRBGUYLJZOFG-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.56
Rot. Bonds1

About 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one

2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one (PubChem CID 90042577) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one
PubChem CID90042577
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one
SMILESCC1c2cc(-c3cccs3)ccc2C(=O)N1C
InChIInChI=1S/C14H13NOS/c1-9-12-8-10(13-4-3-7-17-13)5-6-11(12)14(16)15(9)2/h3-9H,1-2H3
InChIKeyGTTRBGUYLJZOFG-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3,4-diphenylphenyl)thiophene
CID 150825396
9-methyl-2,7-dithiophen-2-ylcarbazole
CID 102153776
(3S)-3-amino-5-thiophen-2-yl-1,3-dihydroindol-2-one
CID 125448883
5-thiophen-2-ylisoindol-1-one
CID 118276768
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
1-(2,2-dimethylpropyl)-3-methyl-5-thiophen-2-ylbenzimidazol-2-one
CID 56655584
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257882
2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
CID 10885315

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one?
The IUPAC name of 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one (CID 90042577) is 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one?
The canonical SMILES for 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one is CC1c2cc(-c3cccs3)ccc2C(=O)N1C.
What is the InChIKey of 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one?
The InChIKey is GTTRBGUYLJZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-9-12-8-10(13-4-3-7-17-13)5-6-11(12)14(16)15(9)2/h3-9H,1-2H3.
What are the key properties of 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one?
2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one has a molecular weight of 243.33 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 90042577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).