N-Methylphthalimide
PubChem CID: 11074
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| Compound Synonyms | N-Methylphthalimide, 550-44-7, 2-Methylisoindoline-1,3-dione, Phthalimide, N-methyl-, 1H-Isoindole-1,3(2H)-dione, 2-methyl-, 2-methylisoindole-1,3-dione, N-methyl phthalimide, 2-methyl-isoindole-1,3-dione, EINECS 208-982-4, NSC 44059, BRN 0124428, DTXSID5027198, AI3-01393, 647UP45J2U, 2-METHYL-1H-ISOINDOLE-1,3(2H)-DIONE, MFCD00023063, NSC-44059, DTXCID807198, 5-21-10-00273 (Beilstein Handbook Reference), NCGC00164164-02, UNII-647UP45J2U, N-Nethylphthalimide, NSC44059, N-Methylphthalimide, 98%, SCHEMBL28263, 1H-Isoindole-1, 2-methyl-, CHEMBL172614, Tox21_400053, STL483065, AKOS002384372, CS-W016139, SB64121, NCGC00164164-01, NCGC00164164-03, CAS-550-44-7, SY017788, 2-Methyl-1H-isoindole-1,3(2H)-dione #, DB-050520, M0299, NS00022360, D71133, AE-848/00900046, Q27263715, 208-982-4 |
|---|---|
| Topological Polar Surface Area | 37.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275, Q16236, Q03181, P04792 |
| Iupac Name | 2-methylisoindole-1,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C9H7NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -2.023 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.953 |
| Compound Name | N-Methylphthalimide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 161.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0344919999999997 |
| Inchi | InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3 |
| Smiles | CN1C(=O)C2=CC=CC=C2C1=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all