Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015552

Phytochemical name: Morpholine

Synonymous chemical names:
morpholine

External chemical identifiers:
CID:CID_8083, ChEMBL:CHEMBL276518, ChEBI:CHEBI:34856, ZINC:ZINC000001699948, FDASRS:8B2ZCK305O, SureChEMBL:SCHEMBL986, MolPort-000-871-528

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Chemical structure information

SMILES:
C1CNCCO1

InChI:
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2

InChIKey:
YNAVUWVOSKDBBP-UHFFFAOYSA-N

DeepSMILES:
CCNCCO6

Functional groups:
CNC, COC

Link to spectral information:
MSBNK-CASMI_2016-SM836501

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COCCN1

Scaffold Graph/Node level:
C1COCCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxazinanes

ClassyFire Subclass: Morpholines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP-Likeness score: -0.379

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Chemical structure download