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

C12H9NOS — CID 175996469

IUPAC4-thiophen-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccsc1
InChIInChI=1S/C12H9NOS/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyDCZXAIAJDBFBGU-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.66
Rot. Bonds1

About 4-thiophen-3-yl-2,3-dihydroisoindol-1-one

4-thiophen-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 175996469) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-thiophen-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-thiophen-3-yl-2,3-dihydroisoindol-1-one
PubChem CID175996469
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name4-thiophen-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccsc1
InChIInChI=1S/C12H9NOS/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyDCZXAIAJDBFBGU-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one (CID 175996469) is 4-thiophen-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-thiophen-3-yl-2,3-dihydroisoindol-1-one is O=C1NCc2c1cccc2-c1ccsc1.
What is the InChIKey of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is DCZXAIAJDBFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
4-thiophen-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 215.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175996469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).