N-Nitrosopyrrolidine
PubChem CID: 13591
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| Compound Synonyms | 1-Nitrosopyrrolidine, N-NITROSOPYRROLIDINE, 930-55-2, Pyrrolidine, 1-nitroso-, NPYR, Nitrosopyrrolidine, No-pyr, N-PYR, N-Nitrosopyrrolidin, 1-nitroso-Pyrrolidine, 1-Pyrrolidinamine, N-nitroso-, RCRA waste number U180, N-Nitroso-pyrrolidine, CCRIS 478, NSC 18797, Pyrrole, tetrahydro-N-nitroso-, HSDB 5116, EINECS 213-218-8, N-Nitrosopyrrolidine (NPYR), BRN 0107615, SZ4J5WK201, DTXSID8021062, AI3-62030, NSC-18797, Tetrahydro-N-nitroso-Pyrrole, DTXCID701062, CHEBI:82362, N-NITROSOPYRROLIDINE [MI], N-NITROSOPYRROLIDINE [HSDB], N-NITROSOPYRROLIDINE [IARC], 5-20-01-00521 (Beilstein Handbook Reference), NSC18797, 35884-45-8, 57371-40-1, N-NITROSOPYRROLIDINE (IARC), CAS-930-55-2, N-Nitrosopyrrolidin [German], N Nitrosopyrrolidine, Pyrrolidine, nitroso-, N-N-PYR, RCRA waste no. U180, UNII-SZ4J5WK201, NNitrosopyrrolidin, Pyrrolidine, 1-nitroso-, 1-Nitrosopyrrolidine, N-Nitrosopyrrolidine, NPYR, NSC 18797, 1Nitrosopyrrolidine, Nitroso-Pyrrolidine, NOPYR, Pyrrolidine, 1nitroso, WLN: T5NTJ ANO, 1Pyrrolidinamine, Nnitroso, Pyrrole, tetrahydroNnitroso, 1-Nitrosopyrrolidine, 99%, N-Nitroso-1-Pyrrolidinamine, SCHEMBL606668, CHEMBL351175, NPYR, NSC 18797, Tox21_202356, Tox21_302913, MFCD00003166, AKOS006227868, FN26387, HY-W141077, NCGC00249214-01, NCGC00256421-01, NCGC00259905-01, BS-17894, SY115826, DB-057363, NS00010284, C19285, D82025, N-Nitrosopyrrolidine 10 microg/mL in Methanol, N-Nitrosopyrrolidine 100 microg/mL in Methanol, EN300-1296527, Q22138421 |
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| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | Found in fried bacon |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-nitrosopyrrolidine |
| Nih Violation | True |
| Class | Pyrrolidines |
| Xlogp | -0.2 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C4H8N2O |
| Inchi Key | WNYADZVDBIBLJJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-Nitroso-pyrrolidine, 1-Nitrosopyrrolidine, 1-Pyrrolidinamine, N-nitroso-, N-Nitroso-1-pyrrolidinamine, Nitroso-pyrrolidine, Nitrosopyrrolidine, Pyrrole, tetrahydro-N-nitroso-, Pyrrolidine, 1-nitroso-, Pyrrolidine, nitroso-, Tetrahydro-N-nitroso-pyrrole, N-Nitrosopyrrolidine, N Nitrosopyrrolidine, 1-nitroso-Pyrrolidine, N-nitroso-1-Pyrrolidinamine, nitroso-Pyrrolidine, tetrahydro-N-nitroso-Pyrrole |
| Substituent Name | Pyrrolidine, Organic nitrosamine, N-nitroso compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aliphatic heteromonocyclic compound |
| Compound Name | N-Nitrosopyrrolidine |
| Kingdom | Organic compounds |
| Exact Mass | 100.064 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 100.064 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 100.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Inchi | InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2 |
| Smiles | C1CCN(C1)N=O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pyrrolidines |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all