Methyl 6-hydroxy-7-(1-methylallyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate
Basic information
- CAS
866393-52-4- Standard SMILES
C=CC(C)c1c(C(=O)OC)c2n(c(=O)c1O)CCC2- InChIKey
STGDYOYYKACPQU-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.11575802
Names & identifiers
- Preferred name
- Methyl 6-hydroxy-7-(1-methylallyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate
- IUPAC
- methyl 7-but-3-en-2-yl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
- English name
- Methyl 6-hydroxy-7-(1-methylallyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate
- Molecular formula
- C14H17NO4
- Molecular weight
- 263.29
Names & synonyms
866393-52-4Methyl 6-hydroxy-7-(1-methylallyl)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylateMethyl 7-(but-3-en-2-yl)-6-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylateMethyl 7-but-3-en-2-yl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate7-but-3-en-2-yl-6-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid methyl esterDTXSID20469736AKOS015911714Methyl7-(but-3-en-2-yl)-6-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylate8-Indolizinecarboxylic acid, 1,2,3,5-tetrahydro-6-hydroxy-7-(1-methyl-2-propen-1-yl)-5-oxo-, methyl ester
Database identifiers
- CAS
866393-52-4- PubChem CID
- 11630318
- DTXSID
DTXSID20469736- Nikkaji
- J2.236.922I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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