1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate
PubChem CID: 4811
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| Compound Synonyms | 1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate, CHEMBL11773, (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate, (+)-Physostigmine, 7128-53-2, (+)Eserine, SpecPlus_000527, SCHEMBL24045, DivK1c_006623, BDBM10709, KBio1_001567, DTXSID00859010, CHEBI:182905, PIJVFDBKTWXHHD-UHFFFAOYSA-N, SYB70411, STL432323, AKOS022144154, N-methyl(1,8,3a-trimethylpyrrolidino[2,3-b]indolin-5-yloxy)carboxamide, NCGC00015421-03, NCGC00142456-01, 1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate #, 1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B2RXH2, O97447, Q9NUW8, P27695, O95342 |
| Iupac Name | (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate |
| Prediction Hob | 1.0 |
| Target Id | NPT48 |
| Xlogp | 0.7 |
| Molecular Formula | C15H21N3O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PIJVFDBKTWXHHD-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.207 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.756 |
| Compound Name | 1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 275.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.163 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 275.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5665824 |
| Inchi | InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19) |
| Smiles | CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Physostigma Venenosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all