Summary

IMPPAT Phytochemical identifier: IMPHY005853

Phytochemical name: 1-Nitrosoindole-3-acetonitrile

Synonymous chemical names:
1-nitrosoindole-3-acetonitrile

External chemical identifiers:
CID:57273, FDASRS:0S8432KS6R

---

Chemical structure information

SMILES:
N#CCc1cn(c2c1cccc2)N=O

InChI:
InChI=1S/C10H7N3O/c11-6-5-8-7-13(12-14)10-4-2-1-3-9(8)10/h1-4,7H,5H2

InChIKey:
UOOUHGJOQYHONI-UHFFFAOYSA-N

DeepSMILES:
N#CCccncc5cccc6))))))N=O

Functional groups:
CC#N, cn(c)N=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -0.544

---

Chemical structure download