Basic information
- CAS
439-55-4- Standard SMILES
O=C1C=C(N2CC2)c2ccccc2C1=O- InChIKey
KWBYKWLHLZKMKF-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 1,2-Naphthalenedione, 4-(1-aziridinyl)-
- IUPAC
- 4-(aziridin-1-yl)naphthalene-1,2-dione
Names & synonyms
1,2-Naphthalenedione, 4-(1-aziridinyl)-4-Ethyleniminonaphthoquinone-1,24-(1-Aziridinyl)-1,2-naphthalenedione439-55-44-(aziridin-1-yl)naphthalene-1,2-dioneMLS002920479NSC1393471,2-NAPHTHOQUINONE, 4-(1-AZIRIDINYL)-JVL856D8DGNSC-139347SMR001798069NSC 139347
Show more names
BRN 01634494-Aethylenimino-naphtochinon-1,2 [German]AI3-529694-Aethylenimino-naphtochinon-1,2UNII-JVL856D8DGcid_99221, 4-(1-aziridinyl)-5-20-01-00036 (Beilstein Handbook Reference)
Database identifiers
- CAS
439-55-4- PubChem CID
- 9922
- DTXSID
DTXSID20195982- ChEMBL
CHEMBL1890961- UNII
- JVL856D8DG
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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