Dimethyl 7-(propan-2-ylidene)-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
Basic information
- CAS
66322-83-6- Standard SMILES
COC(=O)N1C2CCC(C2=C(C)C)N1C(=O)OC- InChIKey
NIUOSZMZZCANNF-UHFFFAOYSA-N- Molecular formula
- C12H18N2O4
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.12665706
Names & identifiers
- Preferred name
- Dimethyl 7-(propan-2-ylidene)-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
- IUPAC
- dimethyl 7-propan-2-ylidene-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
Names & synonyms
66322-83-6NSC166564DTXSID20304633NSC-166564Dimethyl 7-(propan-2-ylidene)-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
Database identifiers
- CAS
66322-83-6- PubChem CID
- 296417
- DTXSID
DTXSID20304633
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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