Ethyl 2-methyl-5-oxo-1-propyl-4,5-dihydro-1h-pyrrole-3-carboxylate
Basic information
- CAS
6942-12-7- Standard SMILES
CCCN1C(=O)CC(C(=O)OCC)=C1C- InChIKey
UZEIZXLFASDFSF-UHFFFAOYSA-N- Molecular formula
- C11H17NO3
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.1208434
Names & identifiers
- Preferred name
- Ethyl 2-methyl-5-oxo-1-propyl-4,5-dihydro-1h-pyrrole-3-carboxylate
- IUPAC
- ethyl 5-methyl-2-oxo-1-propyl-3H-pyrrole-4-carboxylate
Names & synonyms
6942-12-7ethyl 2-methyl-5-oxo-1-propyl-4,5-dihydro-1h-pyrrole-3-carboxylateNSC57410DTXSID70288732NSC-57410DS-011002ethyl 2-methyl-5-oxo-1-propyl-4H-pyrrole-3-carboxylate
Database identifiers
- CAS
6942-12-7- PubChem CID
- 245449
- DTXSID
DTXSID70288732
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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