Summary

IMPPAT Phytochemical identifier: IMPHY012666

Phytochemical name: Cinnamonitrile

Synonymous chemical names:
cinnamonitrile

External chemical identifiers:
CID:1550846, ChEMBL:CHEMBL2387747, ZINC:ZINC000001675000, FDASRS:H475UV3WWH, SureChEMBL:SCHEMBL23599, MolPort-000-841-021

---

Chemical structure information

SMILES:
N#C/C=C/c1ccccc1

InChI:
InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+

InChIKey:
ZWKNLRXFUTWSOY-QPJJXVBHSA-N

DeepSMILES:
N#C/C=C/cccccc6

Functional groups:
c/C=C/C#N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

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

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.065

---

Chemical structure download