3-(1H-Indol-3-yl)cyclopentanone

HCID 11344653

Notes Reactions

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Basic information

Standard SMILES: O=C1CCC(c2c[nH]c3ccccc23)C1
InChIKey: ZZOSAPDBXQLGLK-UHFFFAOYSA-N
Molecular formula: C13H13NO
Average molar mass: 199.25 g/mol
Monoisotopic mass: 199.09971404

Names & identifiers

Preferred name: 3-(1H-Indol-3-yl)cyclopentanone
IUPAC: 3-(1H-indol-3-yl)cyclopentan-1-one

Names & synonyms

3-(1H-Indol-3-yl)cyclopentanone313663-95-53-(1H-INDOL-3-YL)-CYCLOPENTANONESCHEMBL14134203-(indol-3-yl)cyclopenta-noneZZOSAPDBXQLGLK-UHFFFAOYSA-NAKOS006288385

Database identifiers

PubChem CID: 11344653
Nikkaji: J1.397.928F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 32.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 263

Related reactions

6 records

New reaction record

HRID 737025As reactantuspto-grants-2009_09

HRID 809891As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1072445As productuspto-grants-2005_06

HRID 1072448As reactantuspto-grants-2005_06

HRID 1178960As reactantuspto-grants-2007_10

HRID 2151011As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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