2-Methylindoline
PubChem CID: 23305
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| Compound Synonyms | 2-Methylindoline, 6872-06-6, 2-methyl-2,3-dihydro-1H-indole, 2,3-Dihydro-2-methylindole, 1H-Indole, 2,3-dihydro-2-methyl-, 2-Methyl-2,3-dihydroindole, Indoline, 2-methyl-, Dihydroindole, 2-methyl-, alpha-Methyldihydroindole, 2,3-DIHYDRO-2-METHYL-1H-INDOLE, 5GAL2SM4VV, PE-11, NSC 65598, EINECS 229-971-0, MFCD00005706, NSC-65598, .alpha.-Methyldihydroindole, BRN 0081505, DTXSID70884339, 2-methyl indoline, 5-20-06-00344 (Beilstein Handbook Reference), 2-Methylindoline, Indapamide Related Compound C, MFCD19217263, 2-methyl-indoline, NSC65598, a-Methyldihydroindole, UNII-5GAL2SM4VV, 2-Methylindoline, 98%, NCIOpen2_000227, SCHEMBL33268, SCHEMBL12837999, 1H-Indole,3-dihydro-2-methyl-, DTXCID90835247, CHEBI:166548, STR07895, STL124108, AKOS000119057, AKOS016356737, CS-W013390, PS-3274, SB15111, SB15112, SB15113, AC-28908, SY014921, SY099486, DB-021388, M0871, NS00045719, EN300-19044, D71186, Q27262116, F2190-0414, Z104472410, InChI=1/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H, 229-971-0 |
|---|---|
| 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 | CCCccN5)cccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Indolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-2,3-dihydro-1H-indole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H11N |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCN2 |
| Inchi Key | QRWRJDVVXAXGBT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-methyl-2,3-dihydroindole |
| Esol Class | Soluble |
| Functional Groups | cNC |
| Compound Name | 2-Methylindoline |
| Exact Mass | 133.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 133.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 133.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3 |
| Smiles | CC1CC2=CC=CC=C2N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Nepeta Persica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1023