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Basic information
- Standard SMILES
COC(=O)C1CC2CC(=NNC(N)=O)CC2C1- InChIKey
TVEGTLURDKVUIX-UHFFFAOYSA-N- Molecular formula
- C11H17N3O3
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.12699141
Names & identifiers
- Preferred name
- methyl 5-(carbamoylhydrazinylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
- IUPAC
- methyl 5-(carbamoylhydrazinylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
Names & synonyms
NSC620034CHEMBL1966373NSC-620034NCI60_005912
Database identifiers
- PubChem CID
- 359290
- ChEMBL
CHEMBL1966373
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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