Myosmine
PubChem CID: 442649
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| Compound Synonyms | Myosmine, 532-12-7, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 3-(1-Pyrrolin-2-yl)pyridine, Miosmine, 2-(3-Pyridyl)-1-pyrroline, Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-, 3-(4,5-Dihydro-3H-pyrrol-2-yl)-pyridine, 3-(1-PYRROLIN-2-YL)-PYRIDINE, MFCD00052019, UNII-9O0A545W4L, CCRIS 9356, CHEBI:7051, 3-(2-Pyrrolin-2-yl)pyridine, 9O0A545W4L, Pyridine, 3-(1-pyrrolin-2-yl)-, BRN 0119254, CHEMBL423429, DTXSID70891866, 5-23-06-00466 (Beilstein Handbook Reference), 3-(1-Pyrrolin-2-yl)pyridine, 8CI, NICOTINE IMPURITY D [EP IMPURITY], 3-(3,4-Dihydro-2H-pyrrol-5-yl)-Pyridine, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 9CI, 3-(4,5-DIHYDRO-3H-PYRROL-2-YL)PYRIDINE, NICOTINE RESINATE IMPURITY D [EP IMPURITY], 3-(4,5-Dihydro-3H-pyrrol-2-yl)pyridine (Myosmine), NICOTINE DITARTRATE DIHYDRATE IMPURITY D [EP IMPURITY], NICOTINE IMPURITY D (EP IMPURITY), NICOTINE RESINATE IMPURITY D (EP IMPURITY), NICOTINE DITARTRATE DIHYDRATE IMPURITY D (EP IMPURITY), Prestwick_202, Myosmine (Standard), Myosmine, 98%, Spectrum_001130, SpecPlus_000615, Prestwick0_000647, Prestwick1_000647, Prestwick2_000647, Prestwick3_000647, BSPBio_000653, KBioSS_001610, DivK1c_006711, SPBio_002574, BPBio1_000719, SCHEMBL5319476, KBio1_001655, KBio2_001610, KBio2_004178, KBio2_006746, US8609708, 79 Myosmine, DTXCID001009059, HMS1570A15, HMS2097A15, HY-W001909R, BBL100560, BDBM50125053, s3311, STL554354, AKOS005254654, CCG-214475, CS-W001909, FM26110, HY-W001909, NCGC00016493-01, NCGC00016493-02, NCGC00163359-01, 1ST14015, AC-35719, CAS-532-12-7, DA-75828, MS-20037, NS00073889, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine #, Q411486, BRD-K67556876-001-03-1, BRD-K67556876-001-04-9, Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-(9CI) |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCC2)CC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | cccccn6))C=NCCC5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Pyridines and derivatives |
| Description | Present in hazelnuts and peanuts. Myosmine is found in papaya and nuts. |
| Scaffold Graph Node Level | C1CNCC(C2CCCN2)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine |
| Class | Pyridines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.6 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H10N2 |
| Scaffold Graph Node Bond Level | c1cncc(C2=NCCC2)c1 |
| Inchi Key | DPNGWXJMIILTBS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2-(3-Pyridyl)-1-pyrroline, 3-(1-Pyrrolin-2-yl)-pyridine, 3-(1-Pyrrolin-2-yl)pyridine, 3-(1-Pyrrolin-2-yl)pyridine, 8CI, 3-(2-Pyrrolin-2-yl)pyridine, 3-(3,4-dihydro-2H-Pyrrol-5-yl)-pyridine, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 3-(3,4-Dihydro-2H-pyrrol-5-yl)pyridine, 9CI, 3-(4,5-Dihydro-3H-pyrrol-2-yl)-pyridine, Miosmine, Pyridine, 3-(1-pyrrolin-2-yl)-, Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-, 3-(1-Pyrrolin-2-yl)pyridine, 8ci, 3-(3,4-dihydro-2H-Pyrrol-5-yl)pyridine, 3-(3,4-dihydro-2H-Pyrrol-5-yl)pyridine, 9ci, 3-(4,5-dihydro-3H-Pyrrol-2-yl)-pyridine, myosmine |
| Esol Class | Very soluble |
| Functional Groups | cC(C)=NC, cnc |
| Compound Name | Myosmine |
| Kingdom | Organic compounds |
| Exact Mass | 146.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 146.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2 |
| Smiles | C1CC(=NC1)C2=CN=CC=C2 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyridines and derivatives |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:ISBN:9788172360481 - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150