Basic information
- CAS
27172-11-8- Standard SMILES
CCOC(=O)c1c(CC)c[nH]c1CC- InChIKey
ONPBYLDLNWTBTI-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- Ethyl 2,4-diethyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 2,4-diethyl-1H-pyrrole-3-carboxylate
- English name
- 2,4-Diethyl-1H-pyrrole-3-carboxylic acid ethyl ester
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
Ethyl 2,4-diethyl-1H-pyrrole-3-carboxylate27172-11-8DTXSID60343581RefChem:342222DTXCID50294659Pyrrole-3-carboxylic acid, 2,4-diethyl-, ethyl esterONPBYLDLNWTBTI-UHFFFAOYSA-NEthyl 2,4-diethyl-1H-pyrrole-3-carboxylate #2,4-Diethyl-1H-pyrrole-3-carboxylic acid ethyl ester1H-Pyrrole-3-carboxylic acid, 2,4-diethyl-, ethyl ester
Database identifiers
- CAS
27172-11-8- PubChem CID
- 590664
- DTXSID
DTXSID60343581- Nikkaji
- J121.887E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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