Indoline
PubChem CID: 10328
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Indoline, 496-15-1, 2,3-Dihydro-1H-indole, 2,3-DIHYDROINDOLE, 1-Azaindan, Dihydroindole, 1H-Indole, 2,3-dihydro-, 1H-Indole, dihydro-, MFCD00005705, 6DPT9AB2NK, EINECS 207-816-8, BRN 0111915, CHEBI:43295, AI3-39164, DTXSID9052133, 5-20-06-00238 (Beilstein Handbook Reference), Azaindane, aza-indane, indoline-, 1Azaindan, 1-Azaindan, 1H-Indoline, 2,3-Dihydro-1H-indole, 2,3-Dihydroindole, , 2,3dihydroindole, Indoline, 19, 2,3Dihydro1Hindole, 1HIndole, 2,3dihydro, Indole, 2,3-dihydro-, UNII-6DPT9AB2NK, 2,3-dihydro-1 H-indole, SCHEMBL5629, BIDD:GT0113, CHEMBL388803, DTXCID4030702, BDBM92697, Indoline, ReagentPlus(R), 99%, HY-Y0788, AC-531, BBL004502, STK182863, AKOS000119725, Indoline, purum, >=98.0% (GC), CS-W009145, PS-5755, SB66078, Indoline, Vetec(TM) reagent grade, 98%, SY012760, I0033, NS00014420, EN300-19816, P19974, AG-690/11351758, AG-690/11351771, Q2613101, F2190-0413, Z104475582, 207-816-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | cccccc6)NCC5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Indolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydro-1H-indole |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Indolines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H9N |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCN2 |
| Inchi Key | LPAGFVYQRIESJQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | Dihydroindole, 2,3-dihydro-1H-Indole, indoline |
| Esol Class | Soluble |
| Functional Groups | cNC |
| Compound Name | Indoline |
| Kingdom | Organic compounds |
| Exact Mass | 119.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 119.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 119.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2 |
| Smiles | C1CNC2=CC=CC=C21 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Indolines |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Rauvolfia Serpentina (Plant) Rel Props:Reference:ISBN:9788171360536