N-Octyl-2-pyrrolidone (CHEBI:183762)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-Octyl-2-pyrrolidone

ChEBI ID	CHEBI:183762

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H23NO

Net Charge

Average Mass

197.322

Monoisotopic Mass

197.17796

InChI

InChI=1S/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3

InChIKey

WPPOGHDFAVQKLN-UHFFFAOYSA-N

SMILES

O=C1N(CCCCCCCC)CCC1

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	N-Octyl-2-pyrrolidone (CHEBI:183762) is a N-alkylpyrrolidine (CHEBI:46775)

IUPAC Name

1-octylpyrrolidin-2-one

Registry Number	Type	Source
2687-94-7	CAS Registry Number	ChemIDplus