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3-[3-(dimethylamino)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrole-2-carbaldehyde (HCID 22561709)|Huagongshe
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Compound
3-[3-(dimethylamino)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrole-2-carbaldehyde
HCID
22561709
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1cc(C(=O)N2CCC(N(C)C)C2)c(C=O)[nH]1
InChIKey
WBUQRESHTCBQOQ-UHFFFAOYSA-N
Molecular formula
C13H19N3O2
Average molar mass
249.31 g/mol
Monoisotopic mass
249.14772686
Names & identifiers
Preferred name
3-[3-(dimethylamino)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrole-2-carbaldehyde
IUPAC
3-[3-(dimethylamino)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrole-2-carbaldehyde
Names & synonyms
SCHEMBL7095241
Database identifiers
PubChem CID
22561709
Properties
Computed structural properties
XLogP
0.6
Topological polar surface area
56.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
332
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Show all 8 / 8
Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
158227
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
163963
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
297509
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
822311
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1122590
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
2338958
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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Compound notes
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