2-oxo-5-thiophen-2-yloxolane-3-carbonitrile

C9H7NO2S — CID 82125687

IUPAC2-oxo-5-thiophen-2-yloxolane-3-carbonitrile
SMILESN#CC1CC(c2cccs2)OC1=O
InChIInChI=1S/C9H7NO2S/c10-5-6-4-7(12-9(6)11)8-2-1-3-13-8/h1-3,6-7H,4H2
InChIKeyNTAIZLBCVXCUKE-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.88
Rot. Bonds1

About 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile

2-oxo-5-thiophen-2-yloxolane-3-carbonitrile (PubChem CID 82125687) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-5-thiophen-2-yloxolane-3-carbonitrile
PubChem CID82125687
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name2-oxo-5-thiophen-2-yloxolane-3-carbonitrile
SMILESN#CC1CC(c2cccs2)OC1=O
InChIInChI=1S/C9H7NO2S/c10-5-6-4-7(12-9(6)11)8-2-1-3-13-8/h1-3,6-7H,4H2
InChIKeyNTAIZLBCVXCUKE-UHFFFAOYSA-N
XLogP1.88
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile?
The IUPAC name of 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile (CID 82125687) is 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile.
What is the SMILES notation for 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile?
The canonical SMILES for 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile is N#CC1CC(c2cccs2)OC1=O.
What is the InChIKey of 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile?
The InChIKey is NTAIZLBCVXCUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c10-5-6-4-7(12-9(6)11)8-2-1-3-13-8/h1-3,6-7H,4H2.
What are the key properties of 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile?
2-oxo-5-thiophen-2-yloxolane-3-carbonitrile has a molecular weight of 193.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-thiophen-2-yloxolane-3-carbonitrile is sourced from PubChem (CID 82125687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).