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5-Amino-1-tetrahydropyran-2-ylindole

HCID 54379970
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc2c(ccn2C2CCCCO2)c1
InChIKey
UZFLTBUWWBWARX-UHFFFAOYSA-N
Molecular formula
C13H16N2O
Average molar mass
216.28 g/mol

Names & identifiers

Preferred name
5-Amino-1-tetrahydropyran-2-ylindole
IUPAC
1-(oxan-2-yl)indol-5-amine

Names & synonyms

SCHEMBL8392305UZFLTBUWWBWARX-UHFFFAOYSA-N5-amino-1-tetrahydropyran-2-ylindole

Database identifiers

PubChem CID
54379970

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
40.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
246

Related reactions

2 records
New reaction record
HRID 677816 reaction equation
HRID 677816As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1418032 reaction equation
HRID 1418032As productuspto-grants-1999_03

Compound notes

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