2-butyl-2H-cyclopenta[b]thiophene

C11H14S — CID 21095250

IUPAC2-butyl-2H-cyclopenta[b]thiophene
SMILESCCCCC1C=C2C=CC=C2S1
InChIInChI=1S/C11H14S/c1-2-3-6-10-8-9-5-4-7-11(9)12-10/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyRIRCSIYDIZDBCW-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.67
Rot. Bonds3

About 2-butyl-2H-cyclopenta[b]thiophene

2-butyl-2H-cyclopenta[b]thiophene (PubChem CID 21095250) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-butyl-2H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-butyl-2H-cyclopenta[b]thiophene
PubChem CID21095250
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2-butyl-2H-cyclopenta[b]thiophene
SMILESCCCCC1C=C2C=CC=C2S1
InChIInChI=1S/C11H14S/c1-2-3-6-10-8-9-5-4-7-11(9)12-10/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyRIRCSIYDIZDBCW-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

Cyclopenta(c)thiophene
CID 21095307
Cyclopenta[b]thiophene
CID 17962582
7-Tetrahydrobenzo[b]thiophene
CID 18315883
Methylcyclopenta[b]thiophene
CID 21095561
Indeno[1,2-b]thiophene
CID 21503772
Dihydro 6h cyclopenta[b]thiophen
CID 89374432
5,6-Trimethylenethiapyran
CID 129785952
9-Thiabicyclo[4.2.1]nona-2,4-diene
CID 142737
(2Z)-2-[(2Z)-2-ethylidene-1-fluoropentylidene]-3-methylidenethiophene
CID 145140712
Ethylfurfuryl sulfide
CID 528326
2-Ethyl-5-methylcyclopenta[b]thiophene
CID 129764228
Dithienothiocine
CID 129787712

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2H-cyclopenta[b]thiophene?
The IUPAC name of 2-butyl-2H-cyclopenta[b]thiophene (CID 21095250) is 2-butyl-2H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-butyl-2H-cyclopenta[b]thiophene?
The canonical SMILES for 2-butyl-2H-cyclopenta[b]thiophene is CCCCC1C=C2C=CC=C2S1.
What is the InChIKey of 2-butyl-2H-cyclopenta[b]thiophene?
The InChIKey is RIRCSIYDIZDBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-2-3-6-10-8-9-5-4-7-11(9)12-10/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of 2-butyl-2H-cyclopenta[b]thiophene?
2-butyl-2H-cyclopenta[b]thiophene has a molecular weight of 178.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2H-cyclopenta[b]thiophene is sourced from PubChem (CID 21095250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).