ethyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Basic information
- CAS
4391-87-1- Standard SMILES
CCOC(=O)c1[nH]c(C=O)c(CC)c1C- InChIKey
ZPKWGTHVNZEDTD-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- ethyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Names & synonyms
ethyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate4391-87-14-ETHYL-5-FORMYL-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTERST4052938NSC400239SCHEMBL12529449DTXSID30322025MFCD00447433STK793002AKOS001735213NSC-400239NCGC00319336-01
Show more names
AB01315530-02SR-01000090440SR-01000090440-1ethyl 4-ethyl-5-formyl-3-methylpyrrole-2-carboxylateethyl 4-ethyl-5-formyl-3-meth-yl-1h-pyrrole-2-carboxylateInChI=1/C11H15NO3/c1-4-8-7(3)10(11(14)15-5-2)12-9(8)6-13/h6,12H,4-5H2,1-3H
Database identifiers
- CAS
4391-87-1- PubChem CID
- 343755
- DTXSID
DTXSID30322025- Nikkaji
- J1.149.565F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…