Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid
Basic information
- CAS
61391-10-4- Standard SMILES
O=CN[C@@H]1[C@@H]2[C@H]3CCN2C[C@H]1O3- InChIKey
XKEMMYSNKGUOCT-NGJRWZKOSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid
- IUPAC
- N-[(1R,3R,7R,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]formamide
Names & synonyms
DTXSID70976945Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid(1R,6R,7R,7aR)-Hexahydro-1H-1,6-epoxypyrrolizin-7-ylmethanimidic acid
Database identifiers
- CAS
61391-10-4- PubChem CID
- 188409
- DTXSID
DTXSID70976945
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
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Compound notes
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