1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

C18H17NOS — CID 114910890

IUPAC1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESCC(O)(c1cc2ccccc2s1)C1CCc2cccnc21
InChIInChI=1S/C18H17NOS/c1-18(20,14-9-8-12-6-4-10-19-17(12)14)16-11-13-5-2-3-7-15(13)21-16/h2-7,10-11,14,20H,8-9H2,1H3
InChIKeyFBFGQRKBDFVPGC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.23
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (PubChem CID 114910890) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
PubChem CID114910890
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESCC(O)(c1cc2ccccc2s1)C1CCc2cccnc21
InChIInChI=1S/C18H17NOS/c1-18(20,14-9-8-12-6-4-10-19-17(12)14)16-11-13-5-2-3-7-15(13)21-16/h2-7,10-11,14,20H,8-9H2,1H3
InChIKeyFBFGQRKBDFVPGC-UHFFFAOYSA-N
XLogP4.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (CID 114910890) is 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is CC(O)(c1cc2ccccc2s1)C1CCc2cccnc21.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The InChIKey is FBFGQRKBDFVPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-18(20,14-9-8-12-6-4-10-19-17(12)14)16-11-13-5-2-3-7-15(13)21-16/h2-7,10-11,14,20H,8-9H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol has a molecular weight of 295.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is sourced from PubChem (CID 114910890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).