Basic information
- CAS
40480-99-7- Standard SMILES
CCOC(=O)c1[nH]c(CC)cc1C- InChIKey
GKIOEXJBJILTEB-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate
- English name
- 1H-Pyrrole-2-carboxylicacid,5-ethyl-3-methyl-,ethylester(9CI)
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
ethyl 5-ethyl-3-methyl-1H-pyrrole-2-carboxylate40480-99-72-ethyl-4-methyl-5-carbethoxypyrroleSCHEMBL11649228GKIOEXJBJILTEB-UHFFFAOYSA-N1H-pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-, ethyl esterInChI=1/C10H15NO2/c1-4-8-6-7(3)9(11-8)10(12)13-5-2/h6,11H,4-5H2,1-3H1H-Pyrrole-2-carboxylicacid,5-ethyl-3-methyl-,ethylester(9CI)
Database identifiers
- CAS
40480-99-7- PubChem CID
- 640320
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 283.5 · 283.5±28.0 °C(Predicted)
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- pka
- 16.19 · 16.19±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
4 records
Compound notes
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