ethyl 2-[(3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole-3-carboxylate
Basic information
- CAS
28420-86-2- Standard SMILES
CCOC(=O)c1c(C)c[nH]c1Cc1[nH]cc(C)c1C(=O)OCC- InChIKey
KXSWPMKVHODFTG-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.15795719
Names & identifiers
- Preferred name
- ethyl 2-[(3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 2-[(3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole-3-carboxylate
- English name
- ethyl 2-[(3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H -pyrrole-3-carboxylate
- Molecular formula
- C17H22N2O4
- Molecular weight
- 0
Names & synonyms
28420-86-2NSC22704ethyl 2-[(3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrole-3-carboxylateDTXSID50281726NSC-22704Diethyl 2,2'-methylenebis(4-methyl-1H-pyrrole-3-carboxylate)ethyl 2-[(3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-methyl-1H -pyrrole-3-carboxylate
Database identifiers
- CAS
28420-86-2- PubChem CID
- 229256
- DTXSID
DTXSID50281726
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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