3-Morpholin-4-yl-1H-indole

HCID 12530833

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc2c(N3CCOCC3)c[nH]c2c1
InChIKey: QYMXWTVUJMBIFC-UHFFFAOYSA-N
Molecular formula: C12H14N2O
Average molar mass: 202.25 g/mol

Names & identifiers

Preferred name: 3-Morpholin-4-yl-1H-indole
IUPAC: 4-(1H-indol-3-yl)morpholine

Names & synonyms

3-Morpholin-4-yl-1H-indoleSCHEMBL1413396SCHEMBL2940790QYMXWTVUJMBIFC-UHFFFAOYSA-N

Database identifiers

PubChem CID: 12530833

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 28.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 216

Related reactions

9 records

New reaction record

HRID 197779As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 296612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 736972As productuspto-grants-2009_09

HRID 736973As reactantuspto-grants-2009_09

HRID 736974As reactantuspto-grants-2009_09

HRID 947996As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1178909As productuspto-grants-2007_10

HRID 1178910As reactantuspto-grants-2007_10

Compound notes

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