Ethyl 2-methyl-5-oxo-1-(propan-2-yl)-4,5-dihydro-1h-pyrrole-3-carboxylate
Basic information
- CAS
6942-11-6- Standard SMILES
CCOC(=O)C1=C(C)N(C(C)C)C(=O)C1- InChIKey
YHBXDCQDCJYOOJ-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-(propan-2-yl)-4,5-dihydro-1h-pyrrole-3-carboxylate
- IUPAC
- ethyl 5-methyl-2-oxo-1-propan-2-yl-3H-pyrrole-4-carboxylate
Names & synonyms
6942-11-6NSC57409ethyl 2-methyl-5-oxo-1-(propan-2-yl)-4,5-dihydro-1h-pyrrole-3-carboxylateDTXSID10288731NSC-574091H-Pyrrole-3-carboxylicacid, 4,5-dihydro-2-methyl-1-(1-methylethyl)-5-oxo-, ethyl esterDS-003043
Database identifiers
- CAS
6942-11-6- PubChem CID
- 245448
- DTXSID
DTXSID10288731
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 318
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Compound notes
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