1,3-diethyl-1H-cyclopenta[c]thiophene

C11H14S — CID 21095347

IUPAC1,3-diethyl-1H-cyclopenta[c]thiophene
SMILESCCC1=C2C=CC=C2C(CC)S1
InChIInChI=1S/C11H14S/c1-3-10-8-6-5-7-9(8)11(4-2)12-10/h5-7,10H,3-4H2,1-2H3
InChIKeyRPVANBRYFONMAA-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.67
Rot. Bonds2

About 1,3-diethyl-1H-cyclopenta[c]thiophene

1,3-diethyl-1H-cyclopenta[c]thiophene (PubChem CID 21095347) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1,3-diethyl-1H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1,3-diethyl-1H-cyclopenta[c]thiophene
PubChem CID21095347
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name1,3-diethyl-1H-cyclopenta[c]thiophene
SMILESCCC1=C2C=CC=C2C(CC)S1
InChIInChI=1S/C11H14S/c1-3-10-8-6-5-7-9(8)11(4-2)12-10/h5-7,10H,3-4H2,1-2H3
InChIKeyRPVANBRYFONMAA-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 1,3-diethyl-1H-cyclopenta[c]thiophene?
The IUPAC name of 1,3-diethyl-1H-cyclopenta[c]thiophene (CID 21095347) is 1,3-diethyl-1H-cyclopenta[c]thiophene.
What is the SMILES notation for 1,3-diethyl-1H-cyclopenta[c]thiophene?
The canonical SMILES for 1,3-diethyl-1H-cyclopenta[c]thiophene is CCC1=C2C=CC=C2C(CC)S1.
What is the InChIKey of 1,3-diethyl-1H-cyclopenta[c]thiophene?
The InChIKey is RPVANBRYFONMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-3-10-8-6-5-7-9(8)11(4-2)12-10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-1H-cyclopenta[c]thiophene?
1,3-diethyl-1H-cyclopenta[c]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 1,3-diethyl-1H-cyclopenta[c]thiophene is sourced from PubChem (CID 21095347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).