2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone

C13H11NOS — CID 116613111

IUPAC2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)c1cccs1
InChIInChI=1S/C13H11NOS/c15-13(12-2-1-5-16-12)9-3-4-10-7-14-8-11(10)6-9/h1-6,14H,7-8H2
InChIKeyCOOFFLBQICSVHC-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.58
Rot. Bonds2

About 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone

2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone (PubChem CID 116613111) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
PubChem CID116613111
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CNC2)c1cccs1
InChIInChI=1S/C13H11NOS/c15-13(12-2-1-5-16-12)9-3-4-10-7-14-8-11(10)6-9/h1-6,14H,7-8H2
InChIKeyCOOFFLBQICSVHC-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(thiophene-2-carbonyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 23341008
2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
CID 116613125
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
CID 131667569
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
2,3-dihydro-1H-isoindole-5-carboxylic acid;furan
CID 146222356
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
2,3-dihydro-1H-isoindol-5-yl-(3-methyltriazol-4-yl)methanone
CID 114692378
2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648499

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone (CID 116613111) is 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone is O=C(c1ccc2c(c1)CNC2)c1cccs1.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone?
The InChIKey is COOFFLBQICSVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-13(12-2-1-5-16-12)9-3-4-10-7-14-8-11(10)6-9/h1-6,14H,7-8H2.
What are the key properties of 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone?
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone has a molecular weight of 229.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 116613111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).