2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene

C11H16S — CID 14338032

IUPAC2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCCCCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16S/c1-2-3-6-10-8-9-5-4-7-11(9)12-10/h8H,2-7H2,1H3
InChIKeyXOHYMBXUCJAVQG-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.58
Rot. Bonds3

About 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene

2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 14338032) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID14338032
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCCCCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16S/c1-2-3-6-10-8-9-5-4-7-11(9)12-10/h8H,2-7H2,1H3
InChIKeyXOHYMBXUCJAVQG-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 62726946
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)undecan-6-amine
CID 63452755
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
CID 83675076
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]butan-1-amine
CID 115704845
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 63452368
(4-butylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43462715
2-prop-2-ynyl-4,5,6,7-tetrahydro-1-benzothiophene
CID 147453970
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylnonan-1-amine
CID 115835124
(1Z,6Z,11Z,16Z)-4,9,14,19-tetrabutyl-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1,4,6,8,11,14,16,18-octaene
CID 11731349
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)undecylhydrazine
CID 105298347

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 14338032) is 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene is CCCCc1cc2c(s1)CCC2.
What is the InChIKey of 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is XOHYMBXUCJAVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-2-3-6-10-8-9-5-4-7-11(9)12-10/h8H,2-7H2,1H3.
What are the key properties of 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 180.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 14338032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).