Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate

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Basic information

CAS: 65523-04-8
Standard SMILES: CCOC(=O)c1cc[nH]c1CC(N)=O
InChIKey: PZDFQDIKMABNEE-UHFFFAOYSA-N
Molecular formula: C9H12N2O3
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.08479225

Names & identifiers

Preferred name: Ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate
IUPAC: ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate

Names & synonyms

ethyl 2-(2-amino-2-oxoethyl)-1H-pyrrole-3-carboxylate65523-04-8DTXSID30314809RefChem:342364DTXCID20265932NSC288720SCHEMBL29210120MFCD20662281NSC-288720SY491936

Database identifiers

CAS: 65523-04-8
PubChem CID: 324217
DTXSID: DTXSID30314809

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 85.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 230

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Compound notes

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