1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one

C13H16OS — CID 105086614

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
SMILESCCCCC(=O)C1CSc2ccccc21
InChIInChI=1S/C13H16OS/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyURDLCXYOQLZYAU-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.64
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one

1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one (PubChem CID 105086614) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
PubChem CID105086614
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
SMILESCCCCC(=O)C1CSc2ccccc21
InChIInChI=1S/C13H16OS/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13/h4-6,8,11H,2-3,7,9H2,1H3
InChIKeyURDLCXYOQLZYAU-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)undecan-1-one
CID 105091464
N-butyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212256
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
N-prop-2-ynyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993620
N-(1-aminobutan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79214006
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108733
N-(4-hydroxybutyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 106843262
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-pyridin-2-ylethanone
CID 105108004
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one (CID 105086614) is 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one is CCCCC(=O)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one?
The InChIKey is URDLCXYOQLZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13/h4-6,8,11H,2-3,7,9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one?
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one has a molecular weight of 220.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one is sourced from PubChem (CID 105086614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).