3-(1,4-Dioxa-spiro[4,5]dec-7-en-8-yl)-1H-azaindole

HCID 18414101
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Basic information

Standard SMILES
C1=C(c2n[nH]c3ccccc23)CCC2(C1)OCCO2
InChIKey
DTMCCYRAMVBSKU-UHFFFAOYSA-N
Molecular formula
C15H16N2O2
Average molar mass
256.3 g/mol
Monoisotopic mass
256.12117776

Names & identifiers

Preferred name
3-(1,4-Dioxa-spiro[4,5]dec-7-en-8-yl)-1H-azaindole
IUPAC
3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-indazole

Names & synonyms

SCHEMBL6634641DTMCCYRAMVBSKU-UHFFFAOYSA-N3-(1,4-Dioxa-spiro[4,5]dec-7-en-8-yl)-1H-azaindole

Database identifiers

PubChem CID
18414101

Properties

Computed structural properties

XLogP
2
Topological polar surface area
47.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
19

Related reactions

5 records
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Compound notes

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