Basic information
- CAS
63486-71-5- Standard SMILES
COC(=O)c1cc2n(c1)CCC2- InChIKey
OCXCMHKVMJVWDF-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 1H-Pyrrolizine-6-carboxylic acid, 2,3-dihydro-, methyl ester
- IUPAC
- methyl 6,7-dihydro-5H-pyrrolizine-2-carboxylate
Names & synonyms
63486-71-51H-Pyrrolizine-6-carboxylic acid, 2,3-dihydro-, methyl esterMethyl 6,7-dihydro-5H-pyrrolizine-2-carboxylatemethyl 2,3-dihydro-1H-pyrrolizine-6-carboxylateSCHEMBL21570233DTXSID30454577
Database identifiers
- CAS
63486-71-5- PubChem CID
- 11084232
- DTXSID
DTXSID30454577- Nikkaji
- J899.033F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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