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

C15H15NOS — CID 116613033

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H15NOS/c17-15(4-1-11-5-6-18-10-11)12-2-3-13-8-16-9-14(13)7-12/h2-3,5-7,10,16H,1,4,8-9H2
InChIKeyKQBJOCNICPTYGR-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.17
Rot. Bonds4

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

1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 116613033) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID116613033
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C15H15NOS/c17-15(4-1-11-5-6-18-10-11)12-2-3-13-8-16-9-14(13)7-12/h2-3,5-7,10,16H,1,4,8-9H2
InChIKeyKQBJOCNICPTYGR-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972119
1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972208
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
methyl 3-(2,3-dihydro-1H-isoindol-5-yl)propanoate
CID 115104742
1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
CID 62199397
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116613118

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one (CID 116613033) is 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)c1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is KQBJOCNICPTYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(4-1-11-5-6-18-10-11)12-2-3-13-8-16-9-14(13)7-12/h2-3,5-7,10,16H,1,4,8-9H2.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one?
1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 257.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116613033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).