5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol

C13H13NOS — CID 114980045

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H13NOS/c15-13(10-4-2-6-14-8-10)12-7-9-3-1-5-11(9)16-12/h2,4,6-8,13,15H,1,3,5H2
InChIKeyCPDZEKPKNMCNEY-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.71
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol (PubChem CID 114980045) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
PubChem CID114980045
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
SMILESOC(c1cccnc1)c1cc2c(s1)CCC2
InChIInChI=1S/C13H13NOS/c15-13(10-4-2-6-14-8-10)12-7-9-3-1-5-11(9)16-12/h2,4,6-8,13,15H,1,3,5H2
InChIKeyCPDZEKPKNMCNEY-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832035
(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115796780
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-fluoro-4-pyridinyl)methanol
CID 115833942
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
isoquinolin-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115794934
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 61086819
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 61207957
(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115839041
3-oxo-2-pyridin-3-yl-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile
CID 80523478
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methanol
CID 103138544

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol (CID 114980045) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol is OC(c1cccnc1)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol?
The InChIKey is CPDZEKPKNMCNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-13(10-4-2-6-14-8-10)12-7-9-3-1-5-11(9)16-12/h2,4,6-8,13,15H,1,3,5H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol has a molecular weight of 231.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol is sourced from PubChem (CID 114980045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).