methyl 5-tert-butyl-1H-pyrrole-2-carboxylate

HCID 18322360
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Basic information

Standard SMILES
COC(=O)c1ccc(C(C)(C)C)[nH]1
InChIKey
NMXYQSHRQHBXSV-UHFFFAOYSA-N
Molecular formula
C10H15NO2
Average molar mass
181.23 g/mol

Names & identifiers

Preferred name
methyl 5-tert-butyl-1H-pyrrole-2-carboxylate
IUPAC
methyl 5-tert-butyl-1H-pyrrole-2-carboxylate

Names & synonyms

methyl 5-tert-butyl-1H-pyrrole-2-carboxylateSCHEMBL3220583NMXYQSHRQHBXSV-UHFFFAOYSA-Nmethyl 5-t-butylpyrrole-2-carboxylate27350-41-0

Database identifiers

PubChem CID
18322360
Nikkaji
J3.348.526C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
42.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

Related reactions

4 records
New reaction record

Compound notes

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