2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile

C10H9NS — CID 163928517

IUPAC2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile
SMILESCCc1cc2c(s1)C(C#N)=CC2
InChIInChI=1S/C10H9NS/c1-2-9-5-7-3-4-8(6-11)10(7)12-9/h4-5H,2-3H2,1H3
InChIKeyRGPONRONRCEWCD-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.77
Rot. Bonds1

About 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile

2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile (PubChem CID 163928517) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile
PubChem CID163928517
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile
SMILESCCc1cc2c(s1)C(C#N)=CC2
InChIInChI=1S/C10H9NS/c1-2-9-5-7-3-4-8(6-11)10(7)12-9/h4-5H,2-3H2,1H3
InChIKeyRGPONRONRCEWCD-UHFFFAOYSA-N
XLogP2.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile?
The IUPAC name of 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile (CID 163928517) is 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile.
What is the SMILES notation for 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile?
The canonical SMILES for 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile is CCc1cc2c(s1)C(C#N)=CC2.
What is the InChIKey of 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile?
The InChIKey is RGPONRONRCEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-9-5-7-3-4-8(6-11)10(7)12-9/h4-5H,2-3H2,1H3.
What are the key properties of 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile?
2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile has a molecular weight of 175.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-cyclopenta[b]thiophene-6-carbonitrile is sourced from PubChem (CID 163928517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).