7,8,9,10-Tetrahydropyrimido(1,2-A)azepine-2,4(3H,6H)-dione
Basic information
- CAS
115248-34-5- Standard SMILES
O=C1CC(=O)N2CCCCCC2=N1- InChIKey
JHFBQUACMMBVQW-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 7,8,9,10-Tetrahydropyrimido(1,2-A)azepine-2,4(3H,6H)-dione
- IUPAC
- 7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2,4-dione
Names & synonyms
AKOS0243254167,8,9,10-TETRAHYDROPYRIMIDO(1,2-A)AZEPINE-2,4(3H,6H)-DIONE
Database identifiers
- CAS
115248-34-5- PubChem CID
- 4085124
- EC Number
- 144-589-3
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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