4-thiophen-2-yloxane-4-carbonitrile

C10H11NOS — CID 62500696

IUPAC4-thiophen-2-yloxane-4-carbonitrile
SMILESN#CC1(c2cccs2)CCOCC1
InChIInChI=1S/C10H11NOS/c11-8-10(3-5-12-6-4-10)9-2-1-7-13-9/h1-2,7H,3-6H2
InChIKeyHLEJVYBEURUTQJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.32
Rot. Bonds1

About 4-thiophen-2-yloxane-4-carbonitrile

4-thiophen-2-yloxane-4-carbonitrile (PubChem CID 62500696) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-thiophen-2-yloxane-4-carbonitrile.

Molecular Properties

Compound Name4-thiophen-2-yloxane-4-carbonitrile
PubChem CID62500696
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name4-thiophen-2-yloxane-4-carbonitrile
SMILESN#CC1(c2cccs2)CCOCC1
InChIInChI=1S/C10H11NOS/c11-8-10(3-5-12-6-4-10)9-2-1-7-13-9/h1-2,7H,3-6H2
InChIKeyHLEJVYBEURUTQJ-UHFFFAOYSA-N
XLogP2.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yloxane-4-carbonitrile?
The IUPAC name of 4-thiophen-2-yloxane-4-carbonitrile (CID 62500696) is 4-thiophen-2-yloxane-4-carbonitrile.
What is the SMILES notation for 4-thiophen-2-yloxane-4-carbonitrile?
The canonical SMILES for 4-thiophen-2-yloxane-4-carbonitrile is N#CC1(c2cccs2)CCOCC1.
What is the InChIKey of 4-thiophen-2-yloxane-4-carbonitrile?
The InChIKey is HLEJVYBEURUTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c11-8-10(3-5-12-6-4-10)9-2-1-7-13-9/h1-2,7H,3-6H2.
What are the key properties of 4-thiophen-2-yloxane-4-carbonitrile?
4-thiophen-2-yloxane-4-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yloxane-4-carbonitrile is sourced from PubChem (CID 62500696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).