Summary

IMPPAT Phytochemical identifier: IMPHY012605

Phytochemical name: N-Cyanomethyl-N-methylacetamide

Synonymous chemical names:
n-cyanomethyl-n-methylacetamide

External chemical identifiers:
CID:539036, ZINC:ZINC000045049098, SureChEMBL:SCHEMBL1802826, MolPort-012-510-379

---

Chemical structure information

SMILES:
CN(C(=O)C)CC#N

InChI:
InChI=1S/C5H8N2O/c1-5(8)7(2)4-3-6/h4H2,1-2H3

InChIKey:
QITPLPZRGCEKHE-UHFFFAOYSA-N

DeepSMILES:
CNC=O)C))CC#N

Functional groups:
CC#N, CC(=O)N(C)C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP-Likeness score: -1.785

---

Chemical structure download