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

C12H12OS — CID 105107396

IUPACcyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESO=C(C1CC1)C1CSc2ccccc21
InChIInChI=1S/C12H12OS/c13-12(8-5-6-8)10-7-14-11-4-2-1-3-9(10)11/h1-4,8,10H,5-7H2
InChIKeyOGQRWDHLGZAJDC-UHFFFAOYSA-N
MW204.29 g/mol
LogP2.86
Rot. Bonds2

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

cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone (PubChem CID 105107396) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
PubChem CID105107396
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Namecyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESO=C(C1CC1)C1CSc2ccccc21
InChIInChI=1S/C12H12OS/c13-12(8-5-6-8)10-7-14-11-4-2-1-3-9(10)11/h1-4,8,10H,5-7H2
InChIKeyOGQRWDHLGZAJDC-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
4-(2,3-dihydro-1-benzothiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 79214122
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
1-(2,3-dihydro-1-benzothiophen-3-yl)pentan-1-one
CID 105086614
1-(2,3-dihydro-1-benzothiophen-3-yl)undecan-1-one
CID 105091464
N-(2-hydroxycyclohexyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213384
3-prop-1-en-2-yl-2,3-dihydro-1-benzothiophene
CID 89250022
N-prop-2-ynyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993620
(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105100893
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211877
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105134314

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone (CID 105107396) is cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone is O=C(C1CC1)C1CSc2ccccc21.
What is the InChIKey of cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The InChIKey is OGQRWDHLGZAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c13-12(8-5-6-8)10-7-14-11-4-2-1-3-9(10)11/h1-4,8,10H,5-7H2.
What are the key properties of cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone?
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone has a molecular weight of 204.29 g/mol, XLogP of 2.86, 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-3-yl)methanone is sourced from PubChem (CID 105107396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).