Basic information
- CAS
126647-17-4- Standard SMILES
CN1CCCC1=NC(=S)CN1CCCC1=O- InChIKey
DNCZFMOGMRMAGQ-UHFFFAOYSA-N- Molecular formula
- C11H17N3OS
- Average molar mass
- 239.34 g/mol
- Monoisotopic mass
- 239.10923335
Names & identifiers
- Preferred name
- N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide
- IUPAC
- N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamide
Names & synonyms
126647-17-4BRN 4257478N-(1-Methyl-2-pyrrolidinylidene)-2-oxo-1-pyrrolidineethanethioamide1-(N-(1-Methyl-2-pyrrolidine)thiocarbamidomethyl)-2-pyrrolidone1-Pyrrolidineethanethioamide, N-(1-methyl-2-pyrrolidinylidene)-2-oxo-N-(1-methyl-2-pyrrolidinylidene)-2-(2-oxo-1-pyrrolidinyl)ethanethioamideN-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamideSCHEMBL13186579STL324694AKOS022111458(E)-N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamideN-[(2E)-1-methylpyrrolidin-2-ylidene]-2-(2-oxopyrrolidin-1-yl)ethanethioamide
Database identifiers
- CAS
126647-17-4- PubChem CID
- 780388
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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