1-(Aziridin-1-yl)-2-(1h-indol-3-yl)ethane-1,2-dione
Basic information
- CAS
33866-75-0- Standard SMILES
O=C(C(=O)N1CC1)c1c[nH]c2ccccc12- InChIKey
JJSMTUKHOAKIDA-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 1-(Aziridin-1-yl)-2-(1h-indol-3-yl)ethane-1,2-dione
- IUPAC
- 1-(aziridin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Names & synonyms
33866-75-01-(aziridin-1-yl)-2-(1h-indol-3-yl)ethane-1,2-dioneNSC89815NCIOpen2_006283DTXSID90955454NSC-89815
Database identifiers
- CAS
33866-75-0- PubChem CID
- 259667
- DTXSID
DTXSID90955454
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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