(2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol

C9H10OS — CID 176832195

IUPAC(2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol
SMILESOC/C=C1\CCc2sccc21
InChIInChI=1S/C9H10OS/c10-5-3-7-1-2-9-8(7)4-6-11-9/h3-4,6,10H,1-2,5H2/b7-3+
InChIKeyDBQHMIZISNEEAG-XVNBXDOJSA-N
MW166.25 g/mol
LogP2.07
Rot. Bonds1

About (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol

(2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol (PubChem CID 176832195) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol
PubChem CID176832195
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name(2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol
SMILESOC/C=C1\CCc2sccc21
InChIInChI=1S/C9H10OS/c10-5-3-7-1-2-9-8(7)4-6-11-9/h3-4,6,10H,1-2,5H2/b7-3+
InChIKeyDBQHMIZISNEEAG-XVNBXDOJSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol?
The IUPAC name of (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol (CID 176832195) is (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol?
The canonical SMILES for (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol is OC/C=C1\CCc2sccc21.
What is the InChIKey of (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol?
The InChIKey is DBQHMIZISNEEAG-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H10OS/c10-5-3-7-1-2-9-8(7)4-6-11-9/h3-4,6,10H,1-2,5H2/b7-3+.
What are the key properties of (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol?
(2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol has a molecular weight of 166.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5,6-dihydrocyclopenta[b]thiophen-4-ylidene)ethanol is sourced from PubChem (CID 176832195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).