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2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole (HCID 19795703)|Huagongshe
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Compound
2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
HCID
19795703
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Basic information
Standard SMILES
COC1c2ccccc2C2CN(Cc3ccccc3)CC21
InChIKey
CPTYPJPDORNTLK-UHFFFAOYSA-N
Molecular formula
C19H21NO
Average molar mass
279.4 g/mol
Monoisotopic mass
279.16231429
Names & identifiers
Preferred name
2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
IUPAC
2-benzyl-4-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole
Database identifiers
PubChem CID
19795703
Properties
Computed structural properties
XLogP
3
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
351
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1 records
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As solvent
HRID
1568497
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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