Methyl indoline-6-carboxylate
PubChem CID: 16244446
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| Compound Synonyms | methyl indoline-6-carboxylate, 341988-36-1, methyl 2,3-dihydro-1H-indole-6-carboxylate, 2,3-Dihydro-1H-indole-6-carboxylic acid methyl ester, 6-Methoxycarbonyl-2,3-dihydro-1H-indole, 2,3-dihydro-1H-indole-6-carboxylic acid methyl ester hydrochloride, MFCD07371629, DTXSID50585695, Methyl indoline-6-carboxylate HCl, Methylindoline-6-carboxylate, 1H-Indole-6-carboxylic acid, 2,3-dihydro-, methyl ester, 6-methoxycarbonylindoline, SCHEMBL2898350, DTXCID50536460, IVFIWGSRKYSLLR-UHFFFAOYSA-N, Methyl indoline-6-carboxylic acid, 1H-INDOLE-6-CARBOXYLIC ACID,2,3-DIHYDRO-,METHYL ESTER, AKOS006240481, GS-3977, SB36711, AC-27791, SY066590, CS-0019056, EN300-62260, Methyl 2,3-dihydro-1H-indole-6-carboxylic acid, 2,3-Dihydro-1H-indole-6-carboxylicacid methyl ester, 871-120-6 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,3-dihydro-1H-indole-6-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H11NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IVFIWGSRKYSLLR-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.367 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.216 |
| Compound Name | Methyl indoline-6-carboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 177.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3703970615384615 |
| Inchi | InChI=1S/C10H11NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-3,6,11H,4-5H2,1H3 |
| Smiles | COC(=O)C1=CC2=C(CCN2)C=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adesmia Boronioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Croton Ruizianus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oxytropis Muricata (Plant) Rel Props:Source_db:cmaup_ingredients