Oxotremorine
PubChem CID: 4630
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| Compound Synonyms | Oxotremorine, Oxytremorine, 70-22-4, Oxotremorin, Tremorine, oxo-, 2'-Oxopyrrolidino-1-pyrrolidino-4-butyne, 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one, MLS000766260, 5RY0UWH1JL, EINECS 200-728-0, NSC 330497, BRN 1530948, 2-PYRROLIDINONE, 1-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-, OXOTREMORINE [MI], NSC-330497, CHEMBL7634, 1-(4-(Pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one, 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-, CHEBI:7851, DTXSID10220252, 5-21-06-00370 (Beilstein Handbook Reference), 2-Pyrrolidinone,1-[4-(1-pyrrolidinyl)-2-butyn-1-yl]-, 1-(2-OXOPYRROLIDINO)-4-PYRROLIDINO-2-BUTYNE, UNII-5RY0UWH1JL, Spectrum_001448, Spectrum_001875, Tocris-0843, Spectrum2_001568, Spectrum3_001599, Spectrum4_000912, Spectrum5_001099, Spectrum5_001686, Lopac-O-9126, oxotremorine-sesquifumarate, cid_4630, SCHEMBL2128, Lopac0_000914, BSPBio_003198, GTPL302, KBioGR_001404, KBioSS_001928, KBioSS_002398, DivK1c_000410, SPBio_001476, KBio1_000410, KBio2_001928, KBio2_002393, KBio2_004496, KBio2_004961, KBio2_007064, KBio2_007529, KBio3_002698, DTXCID10142743, NINDS_000410, HMS2089F17, HMS2231C13, HMS3372G17, BDBM50004665, NSC330497, WLN: T5NVTJ A2UU2- AT5NTJ, CCG-204996, SDCCGSBI-0050889.P003, IDI1_000410, NCGC00015773-01, NCGC00015773-02, NCGC00015773-03, NCGC00015773-04, NCGC00015773-05, NCGC00015773-10, NCGC00024821-01, NCGC00024821-02, NCGC00024821-03, SMR000528860, DB-055393, NS00037024, 1-(4-pyrrolidino-2-butynyl)-2-pyrrolidinone, C07485, AB00053670-07, L001302, Q676896, SR-01000075154-3, 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one, BRD-K21936341-051-02-4, BRD-K21936341-051-03-2, 1-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-pyrrolidinium, Oxotremorine1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one, (oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one, 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one(Oxotremorine), 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one (oxotremorphine), 200-728-0 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1CCCCC1CCCC1 |
| Np Classifier Class | Pyrrolidine alkaloids |
| Deep Smiles | O=CCCCN5CC#CCNCCCC5 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Pyrrolidines |
| Scaffold Graph Node Level | OC1CCCN1CCCCN1CCCC1 |
| Classyfire Subclass | N-alkylpyrrolidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18N2O |
| Scaffold Graph Node Bond Level | O=C1CCCN1CC#CCN1CCCC1 |
| Inchi Key | RSDOPYMFZBJHRL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | oxotremorine |
| Esol Class | Very soluble |
| Functional Groups | CC#CC, CC(=O)N(C)C, CN(C)C |
| Compound Name | Oxotremorine |
| Exact Mass | 206.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 206.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2 |
| Smiles | C1CCN(C1)CC#CCN2CCCC2=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Ornithine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Reference:ISBN:9788185042145