Basic information
- Standard SMILES
CCOC(=O)c1cc(C)c(C=O)[nH]1- InChIKey
JGRYFRGKFUAPLI-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- Ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate
Names & synonyms
Ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate26018-26-85-formyl-4-methyl-1H-pyrrole-2-carboxylic acid ethyl esterSCHEMBL2495592JGRYFRGKFUAPLI-UHFFFAOYSA-NMFCD10000698AKOS006302171DA-33758Ethyl 5-formyl-4-methylpyrrole-2-carboxylate3-methyl-2-formyl-5-carboethoxy-(1h)-pyrrole4-methyl-5-formyl-2-pyrrolecarboxylate ethyl ester
Database identifiers
- PubChem CID
- 9855648
- Nikkaji
- J1.774.752E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
27 records
Compound notes
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