Ethyl 2-methylindolizine-3-carboxylate
Basic information
- CAS
36766-56-0- Standard SMILES
CCOC(=O)c1c(C)cc2ccccn12- InChIKey
DOYCJNQDDMPBRR-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- Ethyl 2-methylindolizine-3-carboxylate
- IUPAC
- ethyl 2-methylindolizine-3-carboxylate
Names & synonyms
ethyl 2-methylindolizine-3-carboxylate36766-56-0HMS1395P17NSC380854Enamine_000699Oprea1_122047DTXSID40321761AKOS024015336NSC-380854SR-01000027315SR-01000027315-1Z56775759
Database identifiers
- CAS
36766-56-0- PubChem CID
- 342902
- DTXSID
DTXSID40321761
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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