Ethylenimine quinone
PubChem CID: 95715
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| Compound Synonyms | Ethylenimine quinone, Quinone I, 2,5-Diaziridinyl-1,4-benzoquinone, 526-62-5, 2,5-Bisethyleneiminebenzoquinone, 2,5-Bis(1-aziridinyl)-1,4-benzoquinone, 2,5-Bis(aziridino)benzoquinone, Chinon I [German], Bayer G4073, Chinon I, ENT 50702, MC 688, diethyleneiminebenzoquinone, 2,5-Bis(1-aziridinyl)-p-benzoquinone, 2,5-Bis(aziridino)-1,4-benzoquinone, 2,5-Bis-ethyleniminobenzoquinone, TW 13, 2,5-diaziridinylbenzoquinone, 2,5-Bis(1-aziridynyl)benzoquinone, 3,6-diaziridinyl-1,4-benzoquinone, 2,5-bis(aziridin-1-yl)-1,4-benzoquinone, 2,5-Di(ethyleneimino)-1,4-benzoquinone, 2,5-Bis(ethyleneimino)-1,4-benzoquinone, p-Benzoquinone, 2,5-bis(1-aziridinyl)-, H7BS8U72CE, MC-688, NSC 30706, BRN 0169182, CHEBI:19363, AI3-50702, 2,5-Bis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione, 2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione, Bayer G 4073, 2,5-Bis-aethyleniminobenzochinon-1,4 [German], 2,5-Bisaethyleniminobenzochinon-1,4, NSC-30706, 2,5-Bis-aethyleniminobenzochinon-1,4, Benzoquinone, 2,5-bis(1-aziridino)-, 2,5,-bisethylene-imine-1,4-benzoquinone, 2,5,-bis(ethyleneimine)-1,4-benzoquinone, 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-, PBE, DTXSID90200577, 5-20-01-00070 (Beilstein Handbook Reference), NSC30706, ENT-50702, 2,5-di(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione, 2,5-DIAZIRIDINO-P-BENZOQUINONE, 2,5-DI-1-AZIRIDINYL-P-BENZOQUINONE, DZQ, PBE (VAN), 3,6-DZQ, DZQ-3,6, UNII-H7BS8U72CE, Neuro_000016, CHEMBL72536, SCHEMBL1676679, DTXCID20123068, p-Benzoquinone,5-bis(1-aziridinyl)-, AKOS006277036, 2,4-dione, 2,5-bis(1-aziridinyl)-, 2, 5-Bis(1-aziridinyl)-p-benzoquinone, 2,5-Di(1-aziridinyl)benzo-1,4-quinone, NCI60_002624, 2, 5-Di(ethyleneimino)-1,4-benzoquinone, 2, 5-Bis(ethyleneimino)-1,4-benzoquinone, 2,5-Bis(1-aziridinyl)-1, 4-benzoquinone, p-Benzoquinone, 2,5-bis(1-aziridinyl)-(8CI), Q27109175, 2, 5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-, 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-(9CI) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CC2)C(C)CC1C1CC1 |
| Deep Smiles | O=CC=CNCC3)))C=O)C=C6NCC3 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CC(N2CC2)C(O)CC1N1CC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10N2O2 |
| Scaffold Graph Node Bond Level | O=C1C=C(N2CC2)C(=O)C=C1N1CC1 |
| Inchi Key | RCWJMKCTHJPXJV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | quinone i |
| Esol Class | Very soluble |
| Functional Groups | O=C1C=C(N2CC2)C(=O)C=C1N1CC1 |
| Compound Name | Ethylenimine quinone |
| Exact Mass | 190.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 190.2 |
| Gi Absorption | False |
| 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/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2 |
| Smiles | C1CN1C2=CC(=O)C(=CC2=O)N3CC3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
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