2,3-diethyl-2H-cyclopenta[b]thiophene

C11H14S — CID 21095343

IUPAC2,3-diethyl-2H-cyclopenta[b]thiophene
SMILESCCC1=C2C=CC=C2SC1CC
InChIInChI=1S/C11H14S/c1-3-8-9-6-5-7-11(9)12-10(8)4-2/h5-7,10H,3-4H2,1-2H3
InChIKeyXXYZJNQNYCIOPA-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.67
Rot. Bonds2

About 2,3-diethyl-2H-cyclopenta[b]thiophene

2,3-diethyl-2H-cyclopenta[b]thiophene (PubChem CID 21095343) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2,3-diethyl-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2,3-diethyl-2H-cyclopenta[b]thiophene
PubChem CID21095343
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2,3-diethyl-2H-cyclopenta[b]thiophene
SMILESCCC1=C2C=CC=C2SC1CC
InChIInChI=1S/C11H14S/c1-3-8-9-6-5-7-11(9)12-10(8)4-2/h5-7,10H,3-4H2,1-2H3
InChIKeyXXYZJNQNYCIOPA-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2H-cyclopenta[b]thiophene?
The IUPAC name of 2,3-diethyl-2H-cyclopenta[b]thiophene (CID 21095343) is 2,3-diethyl-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 2,3-diethyl-2H-cyclopenta[b]thiophene?
The canonical SMILES for 2,3-diethyl-2H-cyclopenta[b]thiophene is CCC1=C2C=CC=C2SC1CC.
What is the InChIKey of 2,3-diethyl-2H-cyclopenta[b]thiophene?
The InChIKey is XXYZJNQNYCIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-3-8-9-6-5-7-11(9)12-10(8)4-2/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-2H-cyclopenta[b]thiophene?
2,3-diethyl-2H-cyclopenta[b]thiophene has a molecular weight of 178.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 21095343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).