Basic information
- CAS
101756-58-5- Standard SMILES
CN1CC=CC1COC(=O)C(O)(C1=CCCC1)c1ccccc1- InChIKey
RWTLYBHKSFYKKK-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1677936
Names & identifiers
- Preferred name
- Mandelic acid, alpha-(1-cyclopentenyl)-, 1-methyl-3-pyrrolin-2-ylmethyl ester
- IUPAC
- (1-methyl-2,5-dihydropyrrol-2-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Names & synonyms
101756-58-5MANDELIC ACID, alpha-(1-CYCLOPENTENYL)-, 1-METHYL-3-PYRROLIN-2-YLMETHYL ESTERRefChem:10887993-(1-Methyl-3-pyrroline)methyl phenyl(1-cyclopentenyl)glycolateDTXSID70906606(1-Methyl-2,5-dihydro-1H-pyrrol-2-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)(phenyl)acetate(1-Methyl-2,5-dihydro-1H-pyrrol-2-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)phenylacetate
Database identifiers
- CAS
101756-58-5- PubChem CID
- 58882
- DTXSID
DTXSID70906606- Nikkaji
- J147.684J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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