6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID: 81616
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| Compound Synonyms | 6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridine, 7197-96-8, 2,3-Cycloheptenopyridine, 5H-Cyclohepta[b]pyridine, 6,7,8,9-tetrahydro-, FT76EZW9PS, 6,7,8,9-Tetrahydro-5H-cyclohepta(b)pyridine, EINECS 230-568-7, DTXSID50992663, 5H-Cyclohepta(b)pyridine, 6,7,8,9-tetrahydro-, 5H,6H,7H,8H,9H-CYCLOHEPTA(B)PYRIDINE, 5H,6H,7H,8H,9H-cyclohepta[b]pyridine, UNII-FT76EZW9PS, SCHEMBL830033, 2,3-Cycloheptenopyridine, 97%, DTXCID801419729, HAA19796, MFCD00006931, AKOS015892317, DB-055588, NS00044412, F53451, 6,7,8,9-Tetrahydro-5H-cyclohepta[b] pyridine, 6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridine #, 230-568-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2CC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | CCCccCC7))cccn6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCC2CCCNC2CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H13N |
| Scaffold Graph Node Bond Level | c1cnc2c(c1)CCCCC2 |
| Inchi Key | CULUYAUTCSKQNM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-cycloheptenopyridine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridine |
| Exact Mass | 147.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8H,1-3,5,7H2 |
| Smiles | C1CCC2=C(CC1)N=CC=C2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943