Summary

IMPPAT Phytochemical identifier: IMPHY015216

Phytochemical name: 6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridine

Synonymous chemical names:
2,3-cycloheptenopyridine

External chemical identifiers:
CID:81616, ZINC:ZINC000001081101, SureChEMBL:SCHEMBL338412

---

Chemical structure information

SMILES:
C1CCc2c(CC1)cccn2

InChI:
InChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8H,1-3,5,7H2

InChIKey:
CULUYAUTCSKQNM-UHFFFAOYSA-N

DeepSMILES:
CCCccCC7))cccn6

Functional groups:
cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnc2c(c1)CCCCC2

Scaffold Graph/Node level:
C1CCC2CCCNC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.796

---

Chemical structure download