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2-Methylpyrrole-3-carboxylic acid diethylamide

HCID 21781722
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCN(CC)C(=O)c1cc[nH]c1C
InChIKey
YRAXSKXMWWLPHL-UHFFFAOYSA-N
Molecular formula
C10H16N2O
Average molar mass
180.25 g/mol

Names & identifiers

Preferred name
2-Methylpyrrole-3-carboxylic acid diethylamide
IUPAC
N,N-diethyl-2-methyl-1H-pyrrole-3-carboxamide

Names & synonyms

SCHEMBL9572998YRAXSKXMWWLPHL-UHFFFAOYSA-NAKOS0276022372-methylpyrrole-3-carboxylic acid diethylamide

Database identifiers

PubChem CID
21781722

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
36.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
178

Related reactions

2 records
New reaction record
HRID 484007 reaction equation
HRID 484007As productuspto-grants-1993_07
HRID 805662 reaction equation
HRID 805662As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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