(3S)-3-methyl-1,3-dihydroindol-2-one
PubChem CID: 640571
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| Compound Synonyms | 7F9YKV2UHL, 3-Methyl-2-indolinone, (S)-, UNII-7F9YKV2UHL, 1232139-08-0, (3S)-3-Methyl-2,3-dihydro-1H-indol-2-one, 1,3-Dihydro-3-methyl-2H-indol-2-one, (3S)-, 2H-Indol-2-one, 1,3-dihydro-3-methyl-, (3S)-, (3S)-3-methyl-1,3-dihydroindol-2-one, DTXSID801345188, (3S)-1,3-Dihydro-3-methyl-2H-indol-2-one |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-methyl-1,3-dihydroindol-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C9H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BBZCPUCZKLTAJQ-LURJTMIESA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.139 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.211 |
| Compound Name | (3S)-3-methyl-1,3-dihydroindol-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.068 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.208233763636364 |
| Inchi | InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)/t6-/m0/s1 |
| Smiles | C[C@H]1C2=CC=CC=C2NC1=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Gilvescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Oenanthe Fistulosa (Plant) Rel Props:Source_db:cmaup_ingredients