Summary

IMPPAT Phytochemical identifier: IMPHY016999

Phytochemical name: 2-Aminoacetophenone

Synonymous chemical names:
2-aminoacetophenone

External chemical identifiers:
CID:11952, ChEMBL:CHEMBL128079, ChEBI:104022, ZINC:ZINC000053194795, FDASRS:4M571C83H7, SureChEMBL:SCHEMBL45515, MolPort-000-490-692

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Chemical structure information

SMILES:
NCC(=O)c1ccccc1

InChI:
InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2

InChIKey:
HEQOJEGTZCTHCF-UHFFFAOYSA-N

DeepSMILES:
NCC=O)cccccc6

Functional groups:
CN, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -0.331

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Chemical structure download