2-Acetylindole
PubChem CID: 589081
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| Compound Synonyms | 2-Acetylindole, 4264-35-1, 1-(1H-Indol-2-yl)ethanone, 1-(1H-INDOL-2-YL)ETHAN-1-ONE, DTXSID30343331, Ethanone,1-(1H-indol-2-yl), 2-Acetyl indole, (5a)-4,5-Epoxy-3-hydroxymorphinan-6-one, 4,5a-Epoxy-3-hydroxymorphinan-6-one, N-Demethylhydromorphone, Nordihydromorphone, Norhydromorphone, , MFCD01863329, SCHEMBL68771, SCHEMBL6981796, DTXCID90294411, INDOL-2-YL METHYL KETONE, 1-(1H-Indol-2-yl)ethanone #, ALBB-016902, STK942944, AKOS005143055, CS-W021190, FS-3720, ETHANONE, 1-(1H-INDOL-2-YL)-, DB-070326, EN300-125717, Q63399136, Z1198159037 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | CC=O)cccc[nH]5)cccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Indoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1H-indol-2-yl)ethanone |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H9NO |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Inchi Key | QXJMCSBBTMVSJS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-actyl indole |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, c[nH]c |
| Compound Name | 2-Acetylindole |
| Exact Mass | 159.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 159.068 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 159.18 |
| 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/C10H9NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3 |
| Smiles | CC(=O)C1=CC2=CC=CC=C2N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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