Basic information
- CAS
139953-43-8- Standard SMILES
C#CCNC(=O)ON1C(=O)CCC1=O- InChIKey
MYMRMWYUCXLDAA-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- (2,5-dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate
Names & synonyms
NSC634771139953-43-8(2,5-dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate1-(((2-Propynylamino)carbonyl)oxy)-2,5-pyrrolidinedioneCHEMBL2006415DTXSID20327145NSC-634771NCI60_0116122,5-Dioxopyrrolidin-1-yl prop-2-yn-1-ylcarbamate
Database identifiers
- CAS
139953-43-8- PubChem CID
- 366402
- DTXSID
DTXSID20327145- ChEMBL
CHEMBL2006415
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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