Basic information
- CAS
80314-99-4- Standard SMILES
COC(=O)[C@@H]1CC(=O)c2cccn21- InChIKey
XNKRSPRKDIVKAC-ZETCQYMHSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- (S)-Methyl 1-oxo-2,3-dihydro-1H-pyrrolizine-3-carboxylate
- IUPAC
- methyl (3S)-1-oxo-2,3-dihydropyrrolizine-3-carboxylate
- English name
- 1H-Pyrrolizine-3-carboxylicacid,2,3-dihydro-1-oxo-,methylester,(S)-(9CI)
- Molecular formula
- C9H9NO3
- Molecular weight
- 0
Names & synonyms
(S)-Methyl 1-oxo-2,3-dihydro-1H-pyrrolizine-3-carboxylate80314-99-41H-Pyrrolizine-3-carboxylicacid,2,3-dihydro-1-oxo-,methylester,(S)-(9CI)
Database identifiers
- CAS
80314-99-4- PubChem CID
- 45116134
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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