8a-(5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo[2,3-b]indol-3a-ol
PubChem CID: 157080
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| Compound Synonyms | Quinamine, Conquinamine, 464-85-7, 77549-88-3, 464-86-8, 3a-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol, 8a-(5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo[2,3-b]indol-3a-ol, 3aH-Furo(2,3-b)indol-3a-ol, 8a-(5-ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-, 3aH-Furo[2,3-b]indol-3a-ol, 8a-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-, Oprea1_245257, SCHEMBL2496398, CHEMBL5026572, DTXSID20871638, AAA46485, AAA46486, AKOS032949027, (3aS,8bR)-3a-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol, NS00043638, AE-562/12222302, B2703-477456, (3aR,8bS)-3a-[(2S,4R,5S)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol, 8a-(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol, 8a-(5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo[2,3-b]indol-3a-ol # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1(C3CC4CCC3CC4)CCCC21 |
| Np Classifier Class | Corynanthe type |
| Deep Smiles | C=CCCNCCC6CC6COCCC5O)ccN8)cccc6 |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1(C3CC4CCN3CC4)OCCC21 |
| Classyfire Subclass | Indolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3a-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H24N2O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)NC1(C3CC4CCN3CC4)OCCC21 |
| Inchi Key | ALNKTVLUDWIWIH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | quinamine |
| Esol Class | Soluble |
| Functional Groups | C=CC, CN(C)C, CO, cNC(C)(C)OC |
| Compound Name | 8a-(5-Vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3ah-furo[2,3-b]indol-3a-ol |
| Exact Mass | 312.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.184 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2 |
| Smiles | C=CC1CN2CCC1CC2C34C(CCO3)(C5=CC=CC=C5N4)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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