7-(Hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-one
Basic information
- CAS
98426-36-9- Standard SMILES
O=C1CCN2CCC(CO)C12- InChIKey
WNINEJPNZZZJII-UHFFFAOYSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Names & identifiers
- Preferred name
- 7-(Hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-one
- IUPAC
- 7-(hydroxymethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-one
- English name
- 1H-Pyrrolizin-1-one,hexahydro-7-(hydroxymethyl)-(6CI)
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19432
Names & synonyms
1-Hydroxymethyl-7-oxo-hexahydro-pyrrolizin1H-Pyrrolizin-1-one,hexahydro-7-(hydroxymethyl)-(6CI)
Database identifiers
- CAS
98426-36-9- PubChem CID
- 130028113
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…