1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone

C13H12OS — CID 81154198

IUPAC1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CC1
InChIInChI=1S/C13H12OS/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-5,8H,6-7H2,1H3
InChIKeyQVJYTMZYUWNUJP-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.88
Rot. Bonds2

About 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone

1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone (PubChem CID 81154198) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
PubChem CID81154198
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CC1
InChIInChI=1S/C13H12OS/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-5,8H,6-7H2,1H3
InChIKeyQVJYTMZYUWNUJP-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
CID 115791035
1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone
CID 81153665
1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
CID 81152952
1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
CID 107003986
[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116600912
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558918
1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone
CID 138594047
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
1-benzothiophen-7-yl-(4-methylthiadiazol-5-yl)methanone
CID 105122113
1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
CID 103450051
1-(1-benzothiophen-7-yl)-2-methylsulfonylethanone
CID 115791050

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone (CID 81154198) is 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone is CC1(C(=O)c2cccc3ccsc23)CC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone?
The InChIKey is QVJYTMZYUWNUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-13(6-7-13)12(14)10-4-2-3-9-5-8-15-11(9)10/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone?
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone has a molecular weight of 216.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 81154198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).