4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one

C9H11N3OS — CID 168685096

IUPAC4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(C)ns2)C1
InChIInChI=1S/C9H11N3OS/c1-3-7-4-8(13)12(5-7)9-10-6(2)11-14-9/h3,7H,1,4-5H2,2H3
InChIKeyXLMAJZDHBJAPAT-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.39
Rot. Bonds2

About 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one

4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one (PubChem CID 168685096) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
PubChem CID168685096
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nc(C)ns2)C1
InChIInChI=1S/C9H11N3OS/c1-3-7-4-8(13)12(5-7)9-10-6(2)11-14-9/h3,7H,1,4-5H2,2H3
InChIKeyXLMAJZDHBJAPAT-UHFFFAOYSA-N
XLogP1.39
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one (CID 168685096) is 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one is C=CC1CC(=O)N(c2nc(C)ns2)C1.
What is the InChIKey of 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is XLMAJZDHBJAPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-7-4-8(13)12(5-7)9-10-6(2)11-14-9/h3,7H,1,4-5H2,2H3.
What are the key properties of 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 209.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168685096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).