4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile

C9H8N2O2S — CID 130045446

IUPAC4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile
SMILESN#Cc1cc(C2COCC(=O)N2)cs1
InChIInChI=1S/C9H8N2O2S/c10-2-7-1-6(5-14-7)8-3-13-4-9(12)11-8/h1,5,8H,3-4H2,(H,11,12)
InChIKeyAJQHYOUZTJXPJQ-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.81
Rot. Bonds1

About 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile

4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile (PubChem CID 130045446) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile
PubChem CID130045446
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile
SMILESN#Cc1cc(C2COCC(=O)N2)cs1
InChIInChI=1S/C9H8N2O2S/c10-2-7-1-6(5-14-7)8-3-13-4-9(12)11-8/h1,5,8H,3-4H2,(H,11,12)
InChIKeyAJQHYOUZTJXPJQ-UHFFFAOYSA-N
XLogP0.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile?
The IUPAC name of 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile (CID 130045446) is 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile.
What is the SMILES notation for 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile?
The canonical SMILES for 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile is N#Cc1cc(C2COCC(=O)N2)cs1.
What is the InChIKey of 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile?
The InChIKey is AJQHYOUZTJXPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-2-7-1-6(5-14-7)8-3-13-4-9(12)11-8/h1,5,8H,3-4H2,(H,11,12).
What are the key properties of 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile?
4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile has a molecular weight of 208.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxomorpholin-3-yl)thiophene-2-carbonitrile is sourced from PubChem (CID 130045446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).