2-Benzyl-5-methoxy-2,3,3a,8a-tetrahydro-1H-2-aza-cyclopenta[a]inden-8-one

HCID 67203458

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc2c(c1)C1CN(Cc3ccccc3)CC1C2=O
InChIKey: PQWGPXPTICZLNG-UHFFFAOYSA-N
Molecular formula: C19H19NO2
Average molar mass: 293.4 g/mol

Names & identifiers

Preferred name: 2-Benzyl-5-methoxy-2,3,3a,8a-tetrahydro-1H-2-aza-cyclopenta[a]inden-8-one
IUPAC: 2-benzyl-7-methoxy-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrol-4-one

Names & synonyms

SCHEMBL1895668PQWGPXPTICZLNG-UHFFFAOYSA-N2-Benzyl-5-methoxy-2,3,3a,8a-tetrahydro-1H-2-aza-cyclopenta[a]inden-8-one

Database identifiers

PubChem CID: 67203458

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 418

Related reactions

14 records

New reaction record

HRID 155183As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 286642As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 311120As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 508491As productuspto-grants-2015_08

HRID 508492As reactantuspto-grants-2015_08

HRID 508522As reactantuspto-grants-2015_08

HRID 546280As productuspto-grants-2011_05

HRID 546281As reactantuspto-grants-2011_05

Compound notes

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