CHEBI:167780 - N-methylcaprolactam

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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-methylcaprolactam
ChEBI ID CHEBI:167780
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H13NO
Net Charge 0
Average Mass 127.187
Monoisotopic Mass 127.09971
InChI InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
InChIKey ZWXPDGCFMMFNRW-UHFFFAOYSA-N
SMILES O=C1N(CCCCC1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing N-methylcaprolactam (CHEBI:167780) is a caprolactams (CHEBI:23000)
IUPAC Name
1-methylazepan-2-one
Manual Xref Database
16434 ChemSpider
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Registry Number Type Source
2556-73-2 CAS Registry Number ChemIDplus