Basic information
- CAS
100872-64-8- Standard SMILES
CC(=O)NC1=C(N2CC2)C(=O)c2ccccc2C1=O- InChIKey
SWWLCPOWYVFKCK-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- N-[3-(Aziridin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]acetamide
- IUPAC
- N-[3-(aziridin-1-yl)-1,4-dioxonaphthalen-2-yl]acetamide
Names & synonyms
100872-64-8Acetamide, N-[3-(1-aziridinyl)-1,4-dihydro-1,4-dioxo-2-naphthalenyl]-N-[3-(Aziridin-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]acetamideDTXSID40576517
Database identifiers
- CAS
100872-64-8- PubChem CID
- 15664211
- DTXSID
DTXSID40576517- Nikkaji
- J458.161J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…