N-Nitrosoguvacoline
PubChem CID: 62103
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| Compound Synonyms | N-NITROSOGUVACOLINE, 55557-02-3, Nitrosoguvacoline, N-Nitroso Guvacoline, CCRIS 3050, BRN 0391077, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-nitroso-, methyl ester, methyl 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylate, 1-Nitroso-1,2,5,6-tetrahydronicotinic acid methyl ester, DT8D8H2TX8, methyl 1-nitroso-1,2,5,6-tetrahydropyridine-3-carboxylate, DTXSID6021038, CHEBI:82512, Nicotinic acid, 1,2,5,6-tetrahydro-1-nitroso-, methyl ester, Nitrosoguvacoline, N-, UNII-DT8D8H2TX8, CHEMBL165231, DTXCID201038, AKOS006277935, FN26351, 1ST170174, Methyl 1,2,5,6tetrahydro1nitrosonicotinate, C19482, 1Nitroso1,2,5,6tetrahydronicotinic acid methyl ester, Q27156024, Nicotinic acid, 1,2,5,6tetrahydro1nitroso, methyl ester, 3Pyridinecarboxylic acid 1,2,5,6tetrahydro1nitrosomethyl ester, Methyl 1-nitroso-1,2,5,6-tetrahydro-3-pyridinecarboxylate #, 3Pyridinecarboxylic acid, 1,2,5,6tetrahydro1nitroso, methyl ester, 1,2,5,6-Tetrahydro-1-nitroso-3-pyridinecarboxylic acid methyl ester, Nitrosoguvacoline |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 59.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | COC=O)C=CCCNC6)N=O |
| Heavy Atom Count | 12.0 |
| Scaffold Graph Node Level | C1CCNCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylate |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10N2O3 |
| Scaffold Graph Node Bond Level | C1=CCNCC1 |
| Inchi Key | NXEUEKXJAAVKCT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | n-nitrosoguvacoline |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C(=O)OC, CN(C)N=O |
| Compound Name | N-Nitrosoguvacoline |
| Exact Mass | 170.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 170.17 |
| 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/C7H10N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h3H,2,4-5H2,1H3 |
| Smiles | COC(=O)C1=CCCN(C1)N=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Areca Catechu (Plant) Rel Props:Reference:ISBN:9788172362089