Basic information
- CAS
20397-57-3- Standard SMILES
O=C1C2CC3CN(C2)CN1C3- InChIKey
KPOCCEPRBFGKHW-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Names & identifiers
- Preferred name
- 1,3-Diazatricyclo(3.3.1.13,7)decan-6-one
- IUPAC
- 1,3-diazatricyclo[3.3.1.13,7]decan-4-one
Names & synonyms
1,3-Diazatricyclo(3.3.1.13,7)decan-6-one1,3-diazatricyclo[3.3.1.13,7]decan-4-one1,3-Diazatricyclo[3.3.1.13,7]decan-6-oneDTXSID109425631,3-Diazatricyclo[3.3.1.1~3,7~]decan-4-one
Database identifiers
- CAS
20397-57-3- PubChem CID
- 140682
- DTXSID
DTXSID10942563
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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