2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one

C13H15NO2S — CID 67182982

IUPAC2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
SMILESO=C1OC(Cc2cccs2)=NC12CCCCC2
InChIInChI=1S/C13H15NO2S/c15-12-13(6-2-1-3-7-13)14-11(16-12)9-10-5-4-8-17-10/h4-5,8H,1-3,6-7,9H2
InChIKeyWDXGEBVLHQOIRL-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.95
Rot. Bonds2

About 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one

2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one (PubChem CID 67182982) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
PubChem CID67182982
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
SMILESO=C1OC(Cc2cccs2)=NC12CCCCC2
InChIInChI=1S/C13H15NO2S/c15-12-13(6-2-1-3-7-13)14-11(16-12)9-10-5-4-8-17-10/h4-5,8H,1-3,6-7,9H2
InChIKeyWDXGEBVLHQOIRL-UHFFFAOYSA-N
XLogP2.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one (CID 67182982) is 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one is O=C1OC(Cc2cccs2)=NC12CCCCC2.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The InChIKey is WDXGEBVLHQOIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-12-13(6-2-1-3-7-13)14-11(16-12)9-10-5-4-8-17-10/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one has a molecular weight of 249.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 67182982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).