3-butan-2-yl-3H-cyclopenta[c]thiophene

C11H14S — CID 21095610

IUPAC3-butan-2-yl-3H-cyclopenta[c]thiophene
SMILESCCC(C)C1SC=C2C=CC=C21
InChIInChI=1S/C11H14S/c1-3-8(2)11-10-6-4-5-9(10)7-12-11/h4-8,11H,3H2,1-2H3
InChIKeyCGMUGZXEIPBSAS-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.53
Rot. Bonds2

About 3-butan-2-yl-3H-cyclopenta[c]thiophene

3-butan-2-yl-3H-cyclopenta[c]thiophene (PubChem CID 21095610) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 3-butan-2-yl-3H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name3-butan-2-yl-3H-cyclopenta[c]thiophene
PubChem CID21095610
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name3-butan-2-yl-3H-cyclopenta[c]thiophene
SMILESCCC(C)C1SC=C2C=CC=C21
InChIInChI=1S/C11H14S/c1-3-8(2)11-10-6-4-5-9(10)7-12-11/h4-8,11H,3H2,1-2H3
InChIKeyCGMUGZXEIPBSAS-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3H-cyclopenta[c]thiophene?
The IUPAC name of 3-butan-2-yl-3H-cyclopenta[c]thiophene (CID 21095610) is 3-butan-2-yl-3H-cyclopenta[c]thiophene.
What is the SMILES notation for 3-butan-2-yl-3H-cyclopenta[c]thiophene?
The canonical SMILES for 3-butan-2-yl-3H-cyclopenta[c]thiophene is CCC(C)C1SC=C2C=CC=C21.
What is the InChIKey of 3-butan-2-yl-3H-cyclopenta[c]thiophene?
The InChIKey is CGMUGZXEIPBSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-3-8(2)11-10-6-4-5-9(10)7-12-11/h4-8,11H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-3H-cyclopenta[c]thiophene?
3-butan-2-yl-3H-cyclopenta[c]thiophene has a molecular weight of 178.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3H-cyclopenta[c]thiophene is sourced from PubChem (CID 21095610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).