8-Methyl-7-nitro-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
Basic information
- CAS
55470-05-8- Standard SMILES
Cc1nc2c(cc1[N+](=O)[O-])C(=O)NCCN2- InChIKey
MWXMWZYRAGGRJC-UHFFFAOYSA-N- Molecular formula
- C9H10N4O3
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.07529019
Names & identifiers
- Preferred name
- 8-Methyl-7-nitro-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
- IUPAC
- 8-methyl-7-nitro-1,2,3,4-tetrahydropyrido[2,3-e][1,4]diazepin-5-one
Names & synonyms
NSC26847555470-05-8DTXSID80313281NSC-2684758-Methyl-7-nitro-1,2,3,4-tetrahydro-5H-pyrido[2,3-e][1,4]diazepin-5-one
Database identifiers
- CAS
55470-05-8- PubChem CID
- 320506
- DTXSID
DTXSID80313281
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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