3-Formyl-2-methylindole
PubChem CID: 73166
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| Compound Synonyms | 5416-80-8, 2-Methylindole-3-carboxaldehyde, 2-Methyl-1H-indole-3-carbaldehyde, 3-Formyl-2-methylindole, 2-Methyl-3-formylindole, 1H-Indole-3-carboxaldehyde, 2-methyl-, Indole-3-carboxaldehyde, 2-methyl-, R0Y4EK4FX7, MFCD00012077, EINECS 226-512-6, NSC 11895, NSC-11895, 2-Methyl-1H-indole-3-carboxaldehyde, DTXSID1063853, 2-methylindole-3-carbaldehyde, NSC11895, UNII-R0Y4EK4FX7, BIDD:GT0605, SCHEMBL248974, DTXCID8041614, 3-Indolecarbaldehyde, 2-methyl-, ALBB-000205, BCP27593, STK041022, 2-Methyl-1H-indole-3-carbaldehyde #, AKOS000118949, 2-Methylindole-3-carboxaldehyde, 97%, CS-W007520, PS-3273, NCGC00335106-01, AC-23428, SY018466, Indole-3-carboxaldehyde, 2-methyl-(8CI), DB-021386, M1485, NS00032984, EN300-18130, AB01327611-02, Q63392569, Z57197606, InChI=1/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H, 226-512-6 |
|---|---|
| Topological Polar Surface Area | 32.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-1H-indole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYZIVXOEJNAIBS-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.625 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.095 |
| Compound Name | 3-Formyl-2-methylindole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 159.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 159.068 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 159.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5192655999999998 |
| Inchi | InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3 |
| Smiles | CC1=C(C2=CC=CC=C2N1)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients