methyl 4-(3-methylbutanoyl)-1H-pyrrole-3-carboxylate

HCID 5282540
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Basic information

Standard SMILES
COC(=O)c1c[nH]cc1C(=O)CC(C)C
InChIKey
AHKTUIIUFNZBMA-UHFFFAOYSA-N
Molecular formula
C11H15NO3
Average molar mass
209.24 g/mol
Monoisotopic mass
209.10519334

Names & identifiers

Preferred name
methyl 4-(3-methylbutanoyl)-1H-pyrrole-3-carboxylate
IUPAC
methyl 4-(3-methylbutanoyl)-1H-pyrrole-3-carboxylate

Names & synonyms

227321-68-8methyl 4-(3-methylbutanoyl)-1H-pyrrole-3-carboxylatemethyl-4-(3-methyl-1-oxobutyl)-1H-pyrrole-3-carboxylateMethyl 4-(3-methyl-1-oxobutyl)-1H-pyrrole-3-carboxylateSCHEMBL6847579AHKTUIIUFNZBMA-UHFFFAOYSA-NMFCD24604697DA-43169WS-00630E74148

Database identifiers

PubChem CID
5282540

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
59.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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