Basic information
- Standard SMILES
O=[N+]([O-])CC12CCCN1CCC2- InChIKey
WAMXOVNLFIASSB-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- 7a-nitromethyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolizine
- IUPAC
- 8-(nitromethyl)-1,2,3,5,6,7-hexahydropyrrolizine
Names & synonyms
127070-74-07a-nitromethyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolizine7a-(Nitromethyl)hexahydro-1H-pyrrolizine7a-(nitromethyl)-hexahydro-1H-pyrrolizineSCHEMBL9678831WAMXOVNLFIASSB-UHFFFAOYSA-NAKOS040805411
Database identifiers
- PubChem CID
- 10487359
- Nikkaji
- J1.319.340A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Related reactions
9 records
Compound notes
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