N-Methylpyrrolidine
PubChem CID: 8454
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| Compound Synonyms | 1-METHYLPYRROLIDINE, N-Methylpyrrolidine, 120-94-5, Pyrrolidine, 1-methyl-, Methylpyrrolidine, N-Methyltetrahydropyrrole, N-methyl pyrrolidine, PYRROLIDINE, N-METHYL, PYRROLIDINE, N-METHYL-, EINECS 204-438-5, MFCD00003173, NSC 65579, BRN 0102445, DTXSID8042210, 06509TZU6C, NSC-65579, METHYLPYRROLIDINE, 1-, NSC-65, DTXCID6022210, EC 204-438-5, 5-20-01-00166 (Beilstein Handbook Reference), CEFEPIME IMPURITY G [EP IMPURITY], CEFEPIME DIHYDROCHLORIDE MONOHYDRATE IMPURITY G [EP IMPURITY], methyl pyrrolidine, CEFEPIME IMPURITY G (EP IMPURITY), 1-Methyl-pyrrolidine, N-Methylpyrrolidine, N-Methyltetrahydropyrrole, NSC 65579, , UNII-06509TZU6C, CEFEPIME DIHYDROCHLORIDE MONOHYDRATE IMPURITY G (EP IMPURITY), 1Methylpyrrolidine, N-methylpyrolidine, N-methylpyrrolidin, N-methylpyrollidine, 1-methyl-pyrolidine, N- methylpyrrolidine, N-methy-lpyrrolidine, N-methyl pyrollidine, N-methyl-pyrrolidine, N-methyl-pyrrolodine, Pyrrolidine, 1methyl, Pyrrolidine,l-methyl-, NMethyltetrahydropyrrole, CHEMBL665, N-Methylpyrrolidine, 97%, PYRROLIDINE, NMETHYL, NSC65579, Tox21_301212, s6216, AKOS015850845, 1-Methylpyrrolidine, >=98.0% (GC), NCGC00255880-01, CAS-120-94-5, DB-000678, HY-128383, CS-0099463, M0415, NS00006447, D78045, Q22829186, F0001-0336, 204-438-5 |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | CNCCCC5 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Pyrrolidines |
| Scaffold Graph Node Level | C1CCNC1 |
| Classyfire Subclass | N-alkylpyrrolidines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 37.2 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylpyrrolidine |
| Class | Pyrrolidines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | N-alkylpyrrolidines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H11N |
| Scaffold Graph Node Bond Level | C1CCNC1 |
| Inchi Key | AVFZOVWCLRSYKC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | N-Methylpyrrolidine hydrobromide, Methylpyrrolidinium bromide, N-Methylpyrrolidine, N-Methylpyrrolidine hydrochloride, n-methylpyrrolidine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C |
| Compound Name | N-Methylpyrrolidine |
| Kingdom | Organic compounds |
| Exact Mass | 85.0891 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 85.0891 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 85.15 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3 |
| Smiles | CN1CCCC1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | N-alkylpyrrolidines |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Reference:ISBN:9788172361150