8-(1-Pyrrolidinyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

HCID 360976
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Basic information

Standard SMILES
N#CC1(N2CCCC2)CCC2(CC1)OCCO2
InChIKey
PBAVRHZEIQSWLN-UHFFFAOYSA-N
Molecular formula
C13H20N2O2
Average molar mass
236.31 g/mol

Names & identifiers

Preferred name
8-(1-Pyrrolidinyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
IUPAC
8-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Names & synonyms

NSC6237078-(1-Pyrrolidinyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile8-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrileSCHEMBL733892CHEMBL1990363PBAVRHZEIQSWLN-UHFFFAOYSA-NNSC-62370775489-29-1NCI60_007034DB-415458

Database identifiers

PubChem CID
360976
ChEMBL
CHEMBL1990363

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
45.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Related reactions

7 records
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Compound notes

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