cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone

C12H12OS — CID 130171257

IUPACcyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
SMILESO=C(C1CC1)C1Cc2ccccc2S1
InChIInChI=1S/C12H12OS/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,8,11H,5-7H2
InChIKeySHJKYYWNDFESGE-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.68
Rot. Bonds2

About cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone

cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone (PubChem CID 130171257) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
PubChem CID130171257
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Namecyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone
SMILESO=C(C1CC1)C1Cc2ccccc2S1
InChIInChI=1S/C12H12OS/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,8,11H,5-7H2
InChIKeySHJKYYWNDFESGE-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophene-2-carboxylate
CID 74756271
(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42938008
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66262994
2,3-dihydro-1-benzothiophen-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917621
(2S)-N-(4-methylcyclohexyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51616605
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 130171276
1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylbut-3-en-1-one
CID 130171272
N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 77086366

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone (CID 130171257) is cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone is O=C(C1CC1)C1Cc2ccccc2S1.
What is the InChIKey of cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone?
The InChIKey is SHJKYYWNDFESGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,8,11H,5-7H2.
What are the key properties of cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone?
cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone has a molecular weight of 204.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(2,3-dihydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 130171257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).