Basic information
- Standard SMILES
C=CCON1C(=O)N2C[C@H]1C(COC)=C[C@H]2C(N)=O- InChIKey
VVRADXQIGFTJCL-UWVGGRQHSA-N- Molecular formula
- C12H17N3O4
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.12190603
Names & identifiers
- Preferred name
- (2S,5R)-6-(allyloxy)-4-(methoxymethyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide
- IUPAC
- (2S,5R)-4-(methoxymethyl)-7-oxo-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide
Names & synonyms
SCHEMBL15320044VVRADXQIGFTJCL-UWVGGRQHSA-N(2S,5R)-6-(allyloxy)-4-(methoxymethyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide
Database identifiers
- PubChem CID
- 89852257
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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