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N-methyl-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide

HCID 66905360
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CC(=O)N(C)Cc1c(C)n(C)c2c(C)cccc12
InChIKey
XDHQLBQBSBRULQ-UHFFFAOYSA-N
Molecular formula
C16H20N2O
Average molar mass
256.34 g/mol

Names & identifiers

Preferred name
N-methyl-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide
IUPAC
N-methyl-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide

Names & synonyms

SCHEMBL1093586XDHQLBQBSBRULQ-UHFFFAOYSA-NN-methyl-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide

Database identifiers

PubChem CID
66905360

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
25.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
355

Related reactions

11 records
New reaction record
HRID 18331 reaction equation
HRID 18331As productuspto-grants-2010_06
HRID 18332 reaction equation
HRID 18332As reactantuspto-grants-2010_06
HRID 678569 reaction equation
HRID 678569As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1297457 reaction equation
HRID 1297457As productuspto-grants-2007_07
HRID 1297458 reaction equation
HRID 1297458As reactantuspto-grants-2007_07
HRID 1362140 reaction equation
HRID 1362140As productuspto-grants-2011_02
HRID 1362141 reaction equation
HRID 1362141As reactantuspto-grants-2011_02
HRID 1690403 reaction equation
HRID 1690403As productuspto-grants-2012_04
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Compound notes

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