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

C15H16OS — CID 115791035

IUPAC1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CCCC1
InChIInChI=1S/C15H16OS/c1-15(8-2-3-9-15)14(16)12-6-4-5-11-7-10-17-13(11)12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyRLWUMUCYBSZTDC-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.66
Rot. Bonds2

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

1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone (PubChem CID 115791035) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
PubChem CID115791035
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)c2cccc3ccsc23)CCCC1
InChIInChI=1S/C15H16OS/c1-15(8-2-3-9-15)14(16)12-6-4-5-11-7-10-17-13(11)12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyRLWUMUCYBSZTDC-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
CID 81152952
1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone
CID 81153665
[1-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116600912
1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
CID 107003986
1-(1-benzothiophen-7-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558918
1-(1-benzothiophen-7-yl)-2-methylpropan-1-one
CID 81153250
1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
CID 103450051
(2-chlorophenyl)-(1-methylcyclohexyl)methanone
CID 22173260
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

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone (CID 115791035) is 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone is CC1(C(=O)c2cccc3ccsc23)CCCC1.
What is the InChIKey of 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone?
The InChIKey is RLWUMUCYBSZTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-15(8-2-3-9-15)14(16)12-6-4-5-11-7-10-17-13(11)12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone?
1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone has a molecular weight of 244.36 g/mol, XLogP of 4.66, 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-methylcyclopentyl)methanone is sourced from PubChem (CID 115791035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).